N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine

C42H28N2 — CID 170138733

IUPACN-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-3-12-31(13-4-1)43(33-21-25-36-30(27-33)20-24-37-35-16-8-7-11-29(35)19-23-38(36)37)34-22-26-42-40(28-34)39-17-9-10-18-41(39)44(42)32-14-5-2-6-15-32/h1-28H
InChIKeyRYVJCBOXQWSUIH-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.71
Rot. Bonds4

About N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine

N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine (PubChem CID 170138733) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
PubChem CID170138733
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC NameN-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N2/c1-3-12-31(13-4-1)43(33-21-25-36-30(27-33)20-24-37-35-16-8-7-11-29(35)19-23-38(36)37)34-22-26-42-40(28-34)39-17-9-10-18-41(39)44(42)32-14-5-2-6-15-32/h1-28H
InChIKeyRYVJCBOXQWSUIH-UHFFFAOYSA-N
XLogP11.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.71
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

4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417823
N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157300261
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine (CID 170138733) is N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(ccc4c5ccccc5ccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine?
The InChIKey is RYVJCBOXQWSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-12-31(13-4-1)43(33-21-25-36-30(27-33)20-24-37-35-16-8-7-11-29(35)19-23-38(36)37)34-22-26-42-40(28-34)39-17-9-10-18-41(39)44(42)32-14-5-2-6-15-32/h1-28H.
What are the key properties of N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine?
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine has a molecular weight of 560.70 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 170138733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).