N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine

C42H28N2 — CID 167182825

IUPACN-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3ccc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C42H28N2/c1-3-14-32(15-4-1)43(40-21-11-13-30-24-25-31-23-22-29-12-7-8-18-35(29)41(31)42(30)40)34-26-27-39-37(28-34)36-19-9-10-20-38(36)44(39)33-16-5-2-6-17-33/h1-28H
InChIKeyKUWKNDJYSNATJE-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.71
Rot. Bonds4

About N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine

N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine (PubChem CID 167182825) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
PubChem CID167182825
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC NameN-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3ccc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C42H28N2/c1-3-14-32(15-4-1)43(40-21-11-13-30-24-25-31-23-22-29-12-7-8-18-35(29)41(31)42(30)40)34-26-27-39-37(28-34)36-19-9-10-20-38(36)44(39)33-16-5-2-6-17-33/h1-28H
InChIKeyKUWKNDJYSNATJE-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,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
CID 135271748
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
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-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine (CID 167182825) is N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3ccc4ccc5ccccc5c4c23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine?
The InChIKey is KUWKNDJYSNATJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-14-32(15-4-1)43(40-21-11-13-30-24-25-31-23-22-29-12-7-8-18-35(29)41(31)42(30)40)34-26-27-39-37(28-34)36-19-9-10-20-38(36)44(39)33-16-5-2-6-17-33/h1-28H.
What are the key properties of N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine?
N-benzo[c]phenanthren-1-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-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 167182825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).