N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine

C56H36N2 — CID 167196235

IUPACN-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3cccc(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6ccccc56)c4)c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C56H36N2/c1-2-18-42(19-3-1)58-52-27-13-26-49(56(52)55-48-23-9-5-15-38(48)30-33-53(55)58)39-17-12-20-43(34-39)57(44-31-32-47-41(35-44)29-28-37-14-4-7-21-45(37)47)54-36-40-16-6-8-22-46(40)50-24-10-11-25-51(50)54/h1-36H
InChIKeyVDCRBCMDEBMNLI-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.69
Rot. Bonds5

About N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine

N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine (PubChem CID 167196235) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
PubChem CID167196235
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC NameN-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3cccc(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6ccccc56)c4)c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C56H36N2/c1-2-18-42(19-3-1)58-52-27-13-26-49(56(52)55-48-23-9-5-15-38(48)30-33-53(55)58)39-17-12-20-43(34-39)57(44-31-32-47-41(35-44)29-28-37-14-4-7-21-45(37)47)54-36-40-16-6-8-22-46(40)50-24-10-11-25-51(50)54/h1-36H
InChIKeyVDCRBCMDEBMNLI-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.69
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

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-9-amine
CID 166660529
N-naphthalen-1-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]naphthalen-2-amine
CID 167195044
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine
CID 167195326
N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
CID 177077814

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine (CID 167196235) is N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine is c1ccc(-n2c3cccc(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6ccccc56)c4)c3c3c4ccccc4ccc32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine?
The InChIKey is VDCRBCMDEBMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-2-18-42(19-3-1)58-52-27-13-26-49(56(52)55-48-23-9-5-15-38(48)30-33-53(55)58)39-17-12-20-43(34-39)57(44-31-32-47-41(35-44)29-28-37-14-4-7-21-45(37)47)54-36-40-16-6-8-22-46(40)50-24-10-11-25-51(50)54/h1-36H.
What are the key properties of N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine?
N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine has a molecular weight of 736.92 g/mol, XLogP of 15.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 167196235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).