N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine

C56H40N2 — CID 167194900

IUPACN-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccccc5-c5ccc(-c6ccccc6)cc5)c4)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C56H40N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)50-23-9-11-26-53(50)57(47-35-36-49-44(38-47)34-33-41-17-7-8-22-48(41)49)46-21-13-18-43(37-46)51-25-14-28-55-56(51)52-24-10-12-27-54(52)58(55)45-19-5-2-6-20-45/h1-9,11-23,25-38H,10,24H2
InChIKeyGFCUKLVLSTZCPT-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.37
Rot. Bonds7

About N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine

N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 167194900) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID167194900
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC NameN-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccccc5-c5ccc(-c6ccccc6)cc5)c4)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C56H40N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)50-23-9-11-26-53(50)57(47-35-36-49-44(38-47)34-33-41-17-7-8-22-48(41)49)46-21-13-18-43(37-46)51-25-14-28-55-56(51)52-24-10-12-27-54(52)58(55)45-19-5-2-6-20-45/h1-9,11-23,25-38H,10,24H2
InChIKeyGFCUKLVLSTZCPT-UHFFFAOYSA-N
XLogP15.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.37
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

2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167195028
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 163703203
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(11-phenyl-1,2-dihydrobenzo[a]carbazol-6-yl)aniline
CID 166660188
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine
CID 170286626
N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
CID 167196235
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 167194900) is N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine is C1=Cc2c(c3c(-c4cccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccccc5-c5ccc(-c6ccccc6)cc5)c4)cccc3n2-c2ccccc2)CC1.
What is the InChIKey of N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is GFCUKLVLSTZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-3-15-39(16-4-1)40-29-31-42(32-30-40)50-23-9-11-26-53(50)57(47-35-36-49-44(38-47)34-33-41-17-7-8-22-48(41)49)46-21-13-18-43(37-46)51-25-14-28-55-56(51)52-24-10-12-27-54(52)58(55)45-19-5-2-6-20-45/h1-9,11-23,25-38H,10,24H2.
What are the key properties of N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 740.95 g/mol, XLogP of 15.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 167194900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).