1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

C130H90N4 — CID 161293442

IUPAC1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2.C56H40N2.C18H14/c1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-17-47(18-4-1)57(51-37-29-45(30-38-51)55-23-11-15-43-13-7-9-21-53(43)55)49-33-25-41(26-34-49)42-27-35-50(36-28-42)58(48-19-5-2-6-20-48)52-39-31-46(32-40-52)56-24-12-16-44-14-8-10-22-54(44)56;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-36H;1-40H;1-14H
InChIKeyVGQWQBSXMSTMRL-UHFFFAOYSA-N
MW1708.18 g/mol
LogP37.04
Rot. Bonds18

About 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (PubChem CID 161293442) has the molecular formula C130H90N4 and a molecular weight of 1708.18 g/mol. Its IUPAC name is 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.

Molecular Properties

Compound Name1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
PubChem CID161293442
Molecular FormulaC130H90N4
Molecular Weight1708.18 g/mol
Exact Mass1706.72
IUPAC Name1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2.C56H40N2.C18H14/c1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-17-47(18-4-1)57(51-37-29-45(30-38-51)55-23-11-15-43-13-7-9-21-53(43)55)49-33-25-41(26-34-49)42-27-35-50(36-28-42)58(48-19-5-2-6-20-48)52-39-31-46(32-40-52)56-24-12-16-44-14-8-10-22-54(44)56;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-36H;1-40H;1-14H
InChIKeyVGQWQBSXMSTMRL-UHFFFAOYSA-N
XLogP37.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001708.18
LogP ≤ 537.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine with MolForge

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Related Compounds

4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)pyrene-2,7-diamine
CID 59260457

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The IUPAC name of 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (CID 161293442) is 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.
What is the SMILES notation for 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The canonical SMILES for 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The InChIKey is VGQWQBSXMSTMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C56H40N2.C18H14/c1-3-13-47(14-4-1)57(51-33-43-21-17-39-9-7-10-40-18-22-44(34-51)55(43)53(39)40)49-29-25-37(26-30-49)38-27-31-50(32-28-38)58(48-15-5-2-6-16-48)52-35-45-23-19-41-11-8-12-42-20-24-46(36-52)56(45)54(41)42;1-3-17-47(18-4-1)57(51-37-29-45(30-38-51)55-23-11-15-43-13-7-9-21-53(43)55)49-33-25-41(26-34-49)42-27-35-50(36-28-42)58(48-19-5-2-6-20-48)52-39-31-46(32-40-52)56-24-12-16-44-14-8-10-22-54(44)56;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-36H;1-40H;1-14H.
What are the key properties of 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine has a molecular weight of 1708.18 g/mol, XLogP of 37.04, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is sourced from PubChem (CID 161293442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).