1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

C280H186N20O2S2 — CID 165048300

IUPAC1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccn2)c2ccc3c(C)cc(N(c4ccccn4)c4cccc5ccccc45)c4ccc1c2c34.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C)cn5)ccc5ccc2c3c54)nc1.[C-]#[N+]c1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C52H32N6.C52H32N2O2.C52H32N2S2.C44H32N4.C40H30N4.C40H28N2/c1-54-44-33-40(36-14-6-3-7-15-36)23-29-48(44)58(50-17-9-11-31-56-50)47-28-21-38-18-24-42-46(27-20-37-19-25-43(47)52(38)51(37)42)57(49-16-8-10-30-55-49)45-26-22-39(32-41(45)34-53)35-12-4-2-5-13-35;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-27-39(47(32-15-4-3-5-16-32)41-19-8-10-25-45-41)36-23-21-34-30(2)28-40(37-24-22-33(29)43(36)44(34)37)48(42-20-9-11-26-46-42)38-18-12-14-31-13-6-7-17-35(31)38;1-27-13-23-37(41-25-27)43(31-9-5-3-6-10-31)35-21-17-29-16-20-34-36(22-18-30-15-19-33(35)39(29)40(30)34)44(32-11-7-4-8-12-32)38-24-14-28(2)26-42-38;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-33H;2*1-32H;3-28H,1-2H3;3-26H,1-2H3;1-28H
InChIKeyPGEBROVTCFMZBR-UHFFFAOYSA-N
MW3926.84 g/mol
LogP80.19
Rot. Bonds38

About 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (PubChem CID 165048300) has the molecular formula C280H186N20O2S2 and a molecular weight of 3926.84 g/mol. Its IUPAC name is 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
PubChem CID165048300
Molecular FormulaC280H186N20O2S2
Molecular Weight3926.84 g/mol
Exact Mass3923.45
IUPAC Name1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccn2)c2ccc3c(C)cc(N(c4ccccn4)c4cccc5ccccc45)c4ccc1c2c34.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C)cn5)ccc5ccc2c3c54)nc1.[C-]#[N+]c1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C52H32N6.C52H32N2O2.C52H32N2S2.C44H32N4.C40H30N4.C40H28N2/c1-54-44-33-40(36-14-6-3-7-15-36)23-29-48(44)58(50-17-9-11-31-56-50)47-28-21-38-18-24-42-46(27-20-37-19-25-43(47)52(38)51(37)42)57(49-16-8-10-30-55-49)45-26-22-39(32-41(45)34-53)35-12-4-2-5-13-35;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-27-39(47(32-15-4-3-5-16-32)41-19-8-10-25-45-41)36-23-21-34-30(2)28-40(37-24-22-33(29)43(36)44(34)37)48(42-20-9-11-26-46-42)38-18-12-14-31-13-6-7-17-35(31)38;1-27-13-23-37(41-25-27)43(31-9-5-3-6-10-31)35-21-17-29-16-20-34-36(22-18-30-15-19-33(35)39(29)40(30)34)44(32-11-7-4-8-12-32)38-24-14-28(2)26-42-38;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-33H;2*1-32H;3-28H,1-2H3;3-26H,1-2H3;1-28H
InChIKeyPGEBROVTCFMZBR-UHFFFAOYSA-N
XLogP80.19
TPSA170.65 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003926.84
LogP ≤ 580.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine with MolForge

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Related Compounds

5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 157146870
1-N,6-N-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 159221568
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
2-(N-[6-(N-(2-isocyano-4-phenylphenyl)anilino)pyren-1-yl]anilino)-5-phenylbenzonitrile
CID 123596367
2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylpyridine-3-carbonitrile
CID 166036399
1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
CID 160735260
3,8-dimethyl-1-N,6-N-dinaphthalen-1-yl-1-N-phenyl-6-N-pyridin-2-ylpyrene-1,6-diamine;3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 161326583
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine;4-(N-[6-(N-(4-isocyanophenyl)-4-methylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-4-trimethylsilylanilino)benzonitrile
CID 158659673
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 160931392
N-[4-[4-(N-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
CID 161048389

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (CID 165048300) is 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is Cc1cc(N(c2ccccc2)c2ccccn2)c2ccc3c(C)cc(N(c4ccccn4)c4cccc5ccccc45)c4ccc1c2c34.Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C)cn5)ccc5ccc2c3c54)nc1.[C-]#[N+]c1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4ccc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The InChIKey is PGEBROVTCFMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6.C52H32N2O2.C52H32N2S2.C44H32N4.C40H30N4.C40H28N2/c1-54-44-33-40(36-14-6-3-7-15-36)23-29-48(44)58(50-17-9-11-31-56-50)47-28-21-38-18-24-42-46(27-20-37-19-25-43(47)52(38)51(37)42)57(49-16-8-10-30-55-49)45-26-22-39(32-41(45)34-53)35-12-4-2-5-13-35;2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;1-29-27-39(47(32-15-4-3-5-16-32)41-19-8-10-25-45-41)36-23-21-34-30(2)28-40(37-24-22-33(29)43(36)44(34)37)48(42-20-9-11-26-46-42)38-18-12-14-31-13-6-7-17-35(31)38;1-27-13-23-37(41-25-27)43(31-9-5-3-6-10-31)35-21-17-29-16-20-34-36(22-18-30-15-19-33(35)39(29)40(30)34)44(32-11-7-4-8-12-32)38-24-14-28(2)26-42-38;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h2-33H;2*1-32H;3-28H,1-2H3;3-26H,1-2H3;1-28H.
What are the key properties of 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine has a molecular weight of 3926.84 g/mol, XLogP of 80.19, 38 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is sourced from PubChem (CID 165048300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).