9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine

C249H186N10 — CID 159741018

IUPAC9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine
SMILESC(=Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1)c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C55H44N2.C52H40N2.2C48H34N2.C46H34N2/c1-55(2)53-39-49(56(45-19-11-5-12-20-45)47-31-27-43(28-32-47)25-23-41-15-7-3-8-16-41)35-37-51(53)52-38-36-50(40-54(52)55)57(46-21-13-6-14-22-46)48-33-29-44(30-34-48)26-24-42-17-9-4-10-18-42;1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-5-13-35(14-6-1)21-22-36-23-29-42(30-24-36)50(41-19-11-4-12-20-41)46-34-28-38-25-31-43-45(33-27-37-26-32-44(46)48(38)47(37)43)49(39-15-7-2-8-16-39)40-17-9-3-10-18-40;1-3-15-43(16-4-1)49(46-28-23-35-11-7-9-13-38(35)32-46)45-26-21-37(22-27-45)40-19-20-42-34-48(30-25-41(42)31-40)50(44-17-5-2-6-18-44)47-29-24-36-12-8-10-14-39(36)33-47;1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h3-40H,1-2H3;1-40H;2*1-34H;1-34H
InChIKeyNCLMJRKOOOQFAF-UHFFFAOYSA-N
MW3318.30 g/mol
LogP70.46
Rot. Bonds44

About 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine

9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine (PubChem CID 159741018) has the molecular formula C249H186N10 and a molecular weight of 3318.30 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine
PubChem CID159741018
Molecular FormulaC249H186N10
Molecular Weight3318.30 g/mol
Exact Mass3315.49
IUPAC Name9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine
SMILESC(=Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1)c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C55H44N2.C52H40N2.2C48H34N2.C46H34N2/c1-55(2)53-39-49(56(45-19-11-5-12-20-45)47-31-27-43(28-32-47)25-23-41-15-7-3-8-16-41)35-37-51(53)52-38-36-50(40-54(52)55)57(46-21-13-6-14-22-46)48-33-29-44(30-34-48)26-24-42-17-9-4-10-18-42;1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-5-13-35(14-6-1)21-22-36-23-29-42(30-24-36)50(41-19-11-4-12-20-41)46-34-28-38-25-31-43-45(33-27-37-26-32-44(46)48(38)47(37)43)49(39-15-7-2-8-16-39)40-17-9-3-10-18-40;1-3-15-43(16-4-1)49(46-28-23-35-11-7-9-13-38(35)32-46)45-26-21-37(22-27-45)40-19-20-42-34-48(30-25-41(42)31-40)50(44-17-5-2-6-18-44)47-29-24-36-12-8-10-14-39(36)33-47;1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h3-40H,1-2H3;1-40H;2*1-34H;1-34H
InChIKeyNCLMJRKOOOQFAF-UHFFFAOYSA-N
XLogP70.46
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds44
Heavy Atoms259
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003318.30
LogP ≤ 570.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine?
The IUPAC name of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine (CID 159741018) is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine is C(=Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1)c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine?
The InChIKey is NCLMJRKOOOQFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2.C52H40N2.2C48H34N2.C46H34N2/c1-55(2)53-39-49(56(45-19-11-5-12-20-45)47-31-27-43(28-32-47)25-23-41-15-7-3-8-16-41)35-37-51(53)52-38-36-50(40-54(52)55)57(46-21-13-6-14-22-46)48-33-29-44(30-34-48)26-24-42-17-9-4-10-18-42;1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-5-13-35(14-6-1)21-22-36-23-29-42(30-24-36)50(41-19-11-4-12-20-41)46-34-28-38-25-31-43-45(33-27-37-26-32-44(46)48(38)47(37)43)49(39-15-7-2-8-16-39)40-17-9-3-10-18-40;1-3-15-43(16-4-1)49(46-28-23-35-11-7-9-13-38(35)32-46)45-26-21-37(22-27-45)40-19-20-42-34-48(30-25-41(42)31-40)50(44-17-5-2-6-18-44)47-29-24-36-12-8-10-14-39(36)33-47;1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h3-40H,1-2H3;1-40H;2*1-34H;1-34H.
What are the key properties of 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine?
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine has a molecular weight of 3318.30 g/mol, XLogP of 70.46, 44 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine is sourced from PubChem (CID 159741018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).