N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine

C60H40N2 — CID 169062083

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-17-43(18-5-1)59-55-26-13-12-24-51(55)52-36-31-46(39-56(52)60(59)44-19-6-2-7-20-44)42-28-32-48(33-29-42)61(47-22-8-3-9-23-47)50-35-37-54-53-25-14-15-27-57(53)62(58(54)40-50)49-34-30-41-16-10-11-21-45(41)38-49/h1-40H
InChIKeyBAHNPGIDVZVGOB-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine (PubChem CID 169062083) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
PubChem CID169062083
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-17-43(18-5-1)59-55-26-13-12-24-51(55)52-36-31-46(39-56(52)60(59)44-19-6-2-7-20-44)42-28-32-48(33-29-42)61(47-22-8-3-9-23-47)50-35-37-54-53-25-14-15-27-57(53)62(58(54)40-50)49-34-30-41-16-10-11-21-45(41)38-49/h1-40H
InChIKeyBAHNPGIDVZVGOB-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
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

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169065018
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
CID 169063768
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine (CID 169062083) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine?
The InChIKey is BAHNPGIDVZVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-17-43(18-5-1)59-55-26-13-12-24-51(55)52-36-31-46(39-56(52)60(59)44-19-6-2-7-20-44)42-28-32-48(33-29-42)61(47-22-8-3-9-23-47)50-35-37-54-53-25-14-15-27-57(53)62(58(54)40-50)49-34-30-41-16-10-11-21-45(41)38-49/h1-40H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 169062083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).