N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine

C62H40N2 — CID 169063057

IUPACN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-19-42(20-4-1)61-55-31-14-12-28-50(55)51-36-34-45(39-56(51)62(61)43-21-5-2-6-22-43)63(59-38-44-23-8-9-25-47(44)49-27-11-13-29-52(49)59)46-35-37-54-53-30-15-16-32-58(53)64(60(54)40-46)57-33-17-24-41-18-7-10-26-48(41)57/h1-40H
InChIKeyNNQZCMGAINJOFD-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.35
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine

N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine (PubChem CID 169063057) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
PubChem CID169063057
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C62H40N2/c1-3-19-42(20-4-1)61-55-31-14-12-28-50(55)51-36-34-45(39-56(51)62(61)43-21-5-2-6-22-43)63(59-38-44-23-8-9-25-47(44)49-27-11-13-29-52(49)59)46-35-37-54-53-30-15-16-32-58(53)64(60(54)40-46)57-33-17-24-41-18-7-10-26-48(41)57/h1-40H
InChIKeyNNQZCMGAINJOFD-UHFFFAOYSA-N
XLogP17.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.35
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-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169062114
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169065018
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 169062013
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N-dibenzoselenophen-2-yl-N-phenanthren-9-yl-9-phenylcarbazol-2-amine
CID 158454155
N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
CID 169065327
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]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine (CID 169063057) is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)c4cc5ccccc5c5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine?
The InChIKey is NNQZCMGAINJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-3-19-42(20-4-1)61-55-31-14-12-28-50(55)51-36-34-45(39-56(51)62(61)43-21-5-2-6-22-43)63(59-38-44-23-8-9-25-47(44)49-27-11-13-29-52(49)59)46-35-37-54-53-30-15-16-32-58(53)64(60(54)40-46)57-33-17-24-41-18-7-10-26-48(41)57/h1-40H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine?
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine has a molecular weight of 813.02 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine is sourced from PubChem (CID 169063057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).