N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine

C64H45N3 — CID 59165153

IUPACN,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)cc1
InChIInChI=1S/C64H45N3/c1-5-16-53(17-6-1)65(54-18-7-2-8-19-54)57-36-26-46(27-37-57)48-30-40-59(41-31-48)67(62-45-35-52-25-24-50-14-13-15-51-34-44-61(62)64(52)63(50)51)60-42-32-49(33-43-60)47-28-38-58(39-29-47)66(55-20-9-3-10-21-55)56-22-11-4-12-23-56/h1-45H
InChIKeyPQAJTAPVVIAYKP-UHFFFAOYSA-N
MW856.09 g/mol
LogP18.33
Rot. Bonds11

About N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine

N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine (PubChem CID 59165153) has the molecular formula C64H45N3 and a molecular weight of 856.09 g/mol. Its IUPAC name is N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine.

Molecular Properties

Compound NameN,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
PubChem CID59165153
Molecular FormulaC64H45N3
Molecular Weight856.09 g/mol
Exact Mass855.36
IUPAC NameN,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)cc1
InChIInChI=1S/C64H45N3/c1-5-16-53(17-6-1)65(54-18-7-2-8-19-54)57-36-26-46(27-37-57)48-30-40-59(41-31-48)67(62-45-35-52-25-24-50-14-13-15-51-34-44-61(62)64(52)63(50)51)60-42-32-49(33-43-60)47-28-38-58(39-29-47)66(55-20-9-3-10-21-55)56-22-11-4-12-23-56/h1-45H
InChIKeyPQAJTAPVVIAYKP-UHFFFAOYSA-N
XLogP18.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.09
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3-phenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[3-(3-phenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3-phenylphenyl)phenyl]-1-N,6-N-bis[4-(3-phenylphenyl)phenyl]pyrene-1,6-diamine
CID 163898864
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyren-4-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine;4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]aniline
CID 158650281
2-N,5-N,3,4-tetraphenyl-2-N,5-N-di(pyren-1-yl)thiophene-2,5-diamine
CID 139840479
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine?
The IUPAC name of N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine (CID 59165153) is N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine.
What is the SMILES notation for N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine?
The canonical SMILES for N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccc6cccc7ccc4c5c67)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine?
The InChIKey is PQAJTAPVVIAYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N3/c1-5-16-53(17-6-1)65(54-18-7-2-8-19-54)57-36-26-46(27-37-57)48-30-40-59(41-31-48)67(62-45-35-52-25-24-50-14-13-15-51-34-44-61(62)64(52)63(50)51)60-42-32-49(33-43-60)47-28-38-58(39-29-47)66(55-20-9-3-10-21-55)56-22-11-4-12-23-56/h1-45H.
What are the key properties of N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine?
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine has a molecular weight of 856.09 g/mol, XLogP of 18.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine is sourced from PubChem (CID 59165153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).