4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine

C40H28N2 — CID 59309126

IUPAC4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cccc4cc(N(c5ccccc5)c5ccccc5)c5cccc2c5c34)cc1
InChIInChI=1S/C40H28N2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)37-27-29-15-13-16-30-28-38(36-26-14-25-35(37)40(36)39(29)30)42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyFKILKOQLTPRYAW-UHFFFAOYSA-N
MW536.68 g/mol
LogP11.52
Rot. Bonds6

About 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine

4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine (PubChem CID 59309126) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine.

Molecular Properties

Compound Name4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
PubChem CID59309126
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3cccc4cc(N(c5ccccc5)c5ccccc5)c5cccc2c5c34)cc1
InChIInChI=1S/C40H28N2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)37-27-29-15-13-16-30-28-38(36-26-14-25-35(37)40(36)39(29)30)42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H
InChIKeyFKILKOQLTPRYAW-UHFFFAOYSA-N
XLogP11.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-phenyl-N-pyren-4-yl-7-triphenylsilylpyren-2-amine
CID 90164557
N-phenyl-N-[4-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(N-phenylanilino)phenyl]phenyl]phenyl]pyren-4-amine
CID 163727433
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
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411842
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412849
N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336
4-N,9-N-diphenyl-4-N,9-N-di(quinolin-2-yl)pyrene-4,9-diamine
CID 59309001
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The IUPAC name of 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine (CID 59309126) is 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine.
What is the SMILES notation for 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The canonical SMILES for 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine is c1ccc(N(c2ccccc2)c2cc3cccc4cc(N(c5ccccc5)c5ccccc5)c5cccc2c5c34)cc1.
What is the InChIKey of 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
The InChIKey is FKILKOQLTPRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-5-17-31(18-6-1)41(32-19-7-2-8-20-32)37-27-29-15-13-16-30-28-38(36-26-14-25-35(37)40(36)39(29)30)42(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-28H.
What are the key properties of 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine?
4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine has a molecular weight of 536.68 g/mol, XLogP of 11.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine is sourced from PubChem (CID 59309126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).