3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine

C188H168F2N6 — CID 160585919

IUPAC3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)(C)c1ccc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(F)c3)cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc(F)c4)cc3c2c1.Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2c3cc(C(C)(C)C)ccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccccc3C)cc2c2ccccc12
InChIInChI=1S/C74H66N2.C58H44F2N2.C56H58N2/c1-72(2,3)53-32-41-58(42-33-53)75(56-37-28-51(29-38-56)62-26-16-20-49-18-10-12-22-60(49)62)70-48-69-67-46-55(74(7,8)9)36-45-66(67)71(47-68(69)64-24-14-15-25-65(64)70)76(59-43-34-54(35-44-59)73(4,5)6)57-39-30-52(31-40-57)63-27-17-21-50-19-11-13-23-61(50)63;1-58(2,3)43-28-33-52-53(34-43)55-38-56(61(48-20-12-18-44(59)35-48)46-29-24-41(25-30-46)39-14-6-4-7-15-39)51-23-11-10-22-50(51)54(55)37-57(52)62(49-21-13-19-45(60)36-49)47-31-26-42(27-32-47)40-16-8-5-9-17-40;1-37-18-12-16-22-50(37)57(42-29-24-39(25-30-42)54(3,4)5)52-36-49-47-34-41(56(9,10)11)28-33-46(47)53(35-48(49)44-20-14-15-21-45(44)52)58(51-23-17-13-19-38(51)2)43-31-26-40(27-32-43)55(6,7)8/h10-48H,1-9H3;4-38H,1-3H3;12-36H,1-11H3
InChIKeyRCJREIUGESSOEF-UHFFFAOYSA-N
MW2549.45 g/mol
LogP55.21
Rot. Bonds22

About 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine

3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine (PubChem CID 160585919) has the molecular formula C188H168F2N6 and a molecular weight of 2549.45 g/mol. Its IUPAC name is 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine.

Molecular Properties

Compound Name3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
PubChem CID160585919
Molecular FormulaC188H168F2N6
Molecular Weight2549.45 g/mol
Exact Mass2547.33
IUPAC Name3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)(C)c1ccc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(F)c3)cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc(F)c4)cc3c2c1.Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2c3cc(C(C)(C)C)ccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccccc3C)cc2c2ccccc12
InChIInChI=1S/C74H66N2.C58H44F2N2.C56H58N2/c1-72(2,3)53-32-41-58(42-33-53)75(56-37-28-51(29-38-56)62-26-16-20-49-18-10-12-22-60(49)62)70-48-69-67-46-55(74(7,8)9)36-45-66(67)71(47-68(69)64-24-14-15-25-65(64)70)76(59-43-34-54(35-44-59)73(4,5)6)57-39-30-52(31-40-57)63-27-17-21-50-19-11-13-23-61(50)63;1-58(2,3)43-28-33-52-53(34-43)55-38-56(61(48-20-12-18-44(59)35-48)46-29-24-41(25-30-46)39-14-6-4-7-15-39)51-23-11-10-22-50(51)54(55)37-57(52)62(49-21-13-19-45(60)36-49)47-31-26-42(27-32-47)40-16-8-5-9-17-40;1-37-18-12-16-22-50(37)57(42-29-24-39(25-30-42)54(3,4)5)52-36-49-47-34-41(56(9,10)11)28-33-46(47)53(35-48(49)44-20-14-15-21-45(44)52)58(51-23-17-13-19-38(51)2)43-31-26-40(27-32-43)55(6,7)8/h10-48H,1-9H3;4-38H,1-3H3;12-36H,1-11H3
InChIKeyRCJREIUGESSOEF-UHFFFAOYSA-N
XLogP55.21
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002549.45
LogP ≤ 555.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine with MolForge

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Related Compounds

3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(3-fluorophenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine;hexa-1,3,5-triyne
CID 159991309
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 59469991
N-[4-[3-tert-butyl-12-[4-(N-(4-phenylphenyl)anilino)phenyl]chrysen-6-yl]phenyl]-N,4-diphenylaniline
CID 59413670
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
N-[4-[2,6-dimethyl-4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]-3,5-dimethylphenyl]-N-(2-methylphenyl)naphthalen-1-amine;N-[4-[2,6-dimethyl-4-(2-methyl-N-naphthalen-2-ylanilino)phenyl]-3,5-dimethylphenyl]-N-(2-methylphenyl)naphthalen-2-amine;N-[4-[2,6-dimethyl-4-(2-methyl-N-phenanthren-9-ylanilino)phenyl]-3,5-dimethylphenyl]-N-(2-methylphenyl)phenanthren-9-amine;4-[2,6-dimethyl-4-(N-(2-methylphenyl)-3-phenylanilino)phenyl]-3,5-dimethyl-N-(2-methylphenyl)-N-(3-phenylphenyl)aniline;N-[4-[2,6-dimethyl-4-(2-methyl-N-triphenylen-2-ylanilino)phenyl]-3,5-dimethylphenyl]-N-(2-methylphenyl)triphenylen-2-amine;N-[4-[2,6-dimethyl-4-(N-naphthalen-1-yl-2-phenylanilino)phenyl]-3,5-dimethylphenyl]-N-(2-phenylphenyl)naphthalen-1-amine;4-[2,6-dimethyl-4-(N-(2-phenylphenyl)anilino)phenyl]-3,5-dimethyl-N-phenyl-N-(2-phenylphenyl)aniline
CID 161180727
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
2-methyl-4-[3-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)naphthalen-2-amine;N-[2-methyl-4-[3-methyl-4-(2-methyl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(2-methylphenyl)phenanthren-9-amine;2-methyl-4-[3-methyl-4-(N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-phenylaniline;2-methyl-4-[3-methyl-4-(N-(2-methylphenyl)-4-phenylanilino)phenyl]-N-(2-methylphenyl)-N-(4-phenylphenyl)aniline;2-methyl-4-[3-methyl-4-(N-(2-phenylphenyl)anilino)phenyl]-N-phenyl-N-(2-phenylphenyl)aniline
CID 162178861
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The IUPAC name of 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine (CID 160585919) is 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine.
What is the SMILES notation for 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The canonical SMILES for 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine is CC(C)(C)c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c4cc(C(C)(C)C)ccc4c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1.CC(C)(C)c1ccc2c(N(c3ccc(-c4ccccc4)cc3)c3cccc(F)c3)cc3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4cccc(F)c4)cc3c2c1.Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1cc2c3cc(C(C)(C)C)ccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccccc3C)cc2c2ccccc12.
What is the InChIKey of 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
The InChIKey is RCJREIUGESSOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H66N2.C58H44F2N2.C56H58N2/c1-72(2,3)53-32-41-58(42-33-53)75(56-37-28-51(29-38-56)62-26-16-20-49-18-10-12-22-60(49)62)70-48-69-67-46-55(74(7,8)9)36-45-66(67)71(47-68(69)64-24-14-15-25-65(64)70)76(59-43-34-54(35-44-59)73(4,5)6)57-39-30-52(31-40-57)63-27-17-21-50-19-11-13-23-61(50)63;1-58(2,3)43-28-33-52-53(34-43)55-38-56(61(48-20-12-18-44(59)35-48)46-29-24-41(25-30-46)39-14-6-4-7-15-39)51-23-11-10-22-50(51)54(55)37-57(52)62(49-21-13-19-45(60)36-49)47-31-26-42(27-32-47)40-16-8-5-9-17-40;1-37-18-12-16-22-50(37)57(42-29-24-39(25-30-42)54(3,4)5)52-36-49-47-34-41(56(9,10)11)28-33-46(47)53(35-48(49)44-20-14-15-21-45(44)52)58(51-23-17-13-19-38(51)2)43-31-26-40(27-32-43)55(6,7)8/h10-48H,1-9H3;4-38H,1-3H3;12-36H,1-11H3.
What are the key properties of 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine?
3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine has a molecular weight of 2549.45 g/mol, XLogP of 55.21, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(2-methylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(3-fluorophenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 160585919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).