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

C60H40N2 — CID 169065150

IUPACN-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-18-43(19-5-1)58-53-26-13-12-25-51(53)52-38-37-49(40-55(52)59(58)44-20-6-2-7-21-44)61(48-36-31-41-17-10-11-22-45(41)39-48)47-34-32-42(33-35-47)50-28-16-30-57-60(50)54-27-14-15-29-56(54)62(57)46-23-8-3-9-24-46/h1-40H
InChIKeyCHPOEGQQZPSBPB-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

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

N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine (PubChem CID 169065150) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
PubChem CID169065150
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C60H40N2/c1-4-18-43(19-5-1)58-53-26-13-12-25-51(53)52-38-37-49(40-55(52)59(58)44-20-6-2-7-21-44)61(48-36-31-41-17-10-11-22-45(41)39-48)47-34-32-42(33-35-47)50-28-16-30-57-60(50)54-27-14-15-29-56(54)62(57)46-23-8-3-9-24-46/h1-40H
InChIKeyCHPOEGQQZPSBPB-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]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
3-(9,10-diphenylphenanthren-2-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169062702
N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118034825
N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412375
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
CID 168798372

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine (CID 169065150) is N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine?
The InChIKey is CHPOEGQQZPSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-18-43(19-5-1)58-53-26-13-12-25-51(53)52-38-37-49(40-55(52)59(58)44-20-6-2-7-21-44)61(48-36-31-41-17-10-11-22-45(41)39-48)47-34-32-42(33-35-47)50-28-16-30-57-60(50)54-27-14-15-29-56(54)62(57)46-23-8-3-9-24-46/h1-40H.
What are the key properties of N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine?
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-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-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 169065150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).