N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine

C64H42N2 — CID 168781816

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5ccccc5c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-17-46(18-4-1)62-58-25-13-11-23-55(58)56-24-12-14-26-59(56)63(62)47-30-36-52(37-31-47)65(53-38-29-43-15-7-8-19-48(43)41-53)51-34-27-44(28-35-51)49-33-39-57-60-40-32-45-16-9-10-22-54(45)64(60)66(61(57)42-49)50-20-5-2-6-21-50/h1-42H
InChIKeyUFZHMGGRLVVNTJ-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.87
Rot. Bonds7

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine (PubChem CID 168781816) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine
PubChem CID168781816
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5ccccc5c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-17-46(18-4-1)62-58-25-13-11-23-55(58)56-24-12-14-26-59(56)63(62)47-30-36-52(37-31-47)65(53-38-29-43-15-7-8-19-48(43)41-53)51-34-27-44(28-35-51)49-33-39-57-60-40-32-45-16-9-10-22-54(45)64(60)66(61(57)42-49)50-20-5-2-6-21-50/h1-42H
InChIKeyUFZHMGGRLVVNTJ-UHFFFAOYSA-N
XLogP17.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.87
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-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]phenyl]aniline
CID 129287020
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine (CID 168781816) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine is c1ccc(-c2c(-c3ccc(N(c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)c4ccc5ccccc5c4)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine?
The InChIKey is UFZHMGGRLVVNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-3-17-46(18-4-1)62-58-25-13-11-23-55(58)56-24-12-14-26-59(56)63(62)47-30-36-52(37-31-47)65(53-38-29-43-15-7-8-19-48(43)41-53)51-34-27-44(28-35-51)49-33-39-57-60-40-32-45-16-9-10-22-54(45)64(60)66(61(57)42-49)50-20-5-2-6-21-50/h1-42H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine has a molecular weight of 839.05 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 168781816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).