6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine

C52H34N2 — CID 167414887

IUPAC6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6c(-n7c8ccccc8c8ccccc87)ccc7ccc4c5c76)c3)cc2)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)40-14-11-17-42(34-40)53(41-15-5-2-6-16-41)49-32-28-38-27-31-46-50(33-29-39-26-30-45(49)51(38)52(39)46)54-47-20-9-7-18-43(47)44-19-8-10-21-48(44)54/h1-34H
InChIKeyNJJOVMBTDBPZMT-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.48
Rot. Bonds6

About 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine

6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine (PubChem CID 167414887) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
PubChem CID167414887
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6c(-n7c8ccccc8c8ccccc87)ccc7ccc4c5c76)c3)cc2)cc1
InChIInChI=1S/C52H34N2/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)40-14-11-17-42(34-40)53(41-15-5-2-6-16-41)49-32-28-38-27-31-46-50(33-29-39-26-30-45(49)51(38)52(39)46)54-47-20-9-7-18-43(47)44-19-8-10-21-48(44)54/h1-34H
InChIKeyNJJOVMBTDBPZMT-UHFFFAOYSA-N
XLogP14.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.48
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

6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
6-carbazol-9-yl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415666
N-[4-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415757
N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
CID 167415378
6-(3,6-ditert-butylcarbazol-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 167415758
6-carbazol-9-yl-N-[3-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3,5-diphenylphenyl)pyren-1-amine
CID 167415918
6-carbazol-9-yl-N,N-bis[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415185
6-(3,6-ditert-butylcarbazol-9-yl)-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415124
N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415883
N-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415401
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 167414871
6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167414828

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine?
The IUPAC name of 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine (CID 167414887) is 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5ccc6c(-n7c8ccccc8c8ccccc87)ccc7ccc4c5c76)c3)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine?
The InChIKey is NJJOVMBTDBPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)40-14-11-17-42(34-40)53(41-15-5-2-6-16-41)49-32-28-38-27-31-46-50(33-29-39-26-30-45(49)51(38)52(39)46)54-47-20-9-7-18-43(47)44-19-8-10-21-48(44)54/h1-34H.
What are the key properties of 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine?
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine has a molecular weight of 686.86 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine is sourced from PubChem (CID 167414887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).