N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

C96H66N6 — CID 159944394

IUPACN-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5[nH]4)cc3)cc2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C56H36N2.C40H30N4/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;1-3-13-33(14-4-1)43(39-27-31-11-7-9-17-37(31)41-39)35-23-19-29(20-24-35)30-21-25-36(26-22-30)44(34-15-5-2-6-16-34)40-28-32-12-8-10-18-38(32)42-40/h1-36H;1-28,41-42H
InChIKeyOBHMWOYUBRSXGE-UHFFFAOYSA-N
MW1303.63 g/mol
LogP27.34
Rot. Bonds14

About N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine

N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (PubChem CID 159944394) has the molecular formula C96H66N6 and a molecular weight of 1303.63 g/mol. Its IUPAC name is N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
PubChem CID159944394
Molecular FormulaC96H66N6
Molecular Weight1303.63 g/mol
Exact Mass1302.53
IUPAC NameN-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5[nH]4)cc3)cc2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C56H36N2.C40H30N4/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;1-3-13-33(14-4-1)43(39-27-31-11-7-9-17-37(31)41-39)35-23-19-29(20-24-35)30-21-25-36(26-22-30)44(34-15-5-2-6-16-34)40-28-32-12-8-10-18-38(32)42-40/h1-36H;1-28,41-42H
InChIKeyOBHMWOYUBRSXGE-UHFFFAOYSA-N
XLogP27.34
TPSA44.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.63
LogP ≤ 527.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine with MolForge

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Related Compounds

2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)pyrene-2,7-diamine
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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
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The IUPAC name of N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine (CID 159944394) is N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine.
What is the SMILES notation for N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The canonical SMILES for N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5[nH]4)cc3)cc2)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
The InChIKey is OBHMWOYUBRSXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2.C40H30N4/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;1-3-13-33(14-4-1)43(39-27-31-11-7-9-17-37(31)41-39)35-23-19-29(20-24-35)30-21-25-36(26-22-30)44(34-15-5-2-6-16-34)40-28-32-12-8-10-18-38(32)42-40/h1-36H;1-28,41-42H.
What are the key properties of N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine?
N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine has a molecular weight of 1303.63 g/mol, XLogP of 27.34, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine is sourced from PubChem (CID 159944394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).