N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine

C64H42N2 — CID 169064223

IUPACN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-4-17-45(18-5-1)63-58-26-13-12-24-55(58)56-37-32-47(41-60(56)64(63)46-19-6-2-7-20-46)43-30-33-50(34-31-43)65(51-35-38-54-48(40-51)29-28-44-16-10-11-23-53(44)54)52-36-39-62-59(42-52)57-25-14-15-27-61(57)66(62)49-21-8-3-9-22-49/h1-42H
InChIKeyLSHNMNHHUWKHRL-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.87
Rot. Bonds7

About N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine (PubChem CID 169064223) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
PubChem CID169064223
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-4-17-45(18-5-1)63-58-26-13-12-24-55(58)56-37-32-47(41-60(56)64(63)46-19-6-2-7-20-46)43-30-33-50(34-31-43)65(51-35-38-54-48(40-51)29-28-44-16-10-11-23-53(44)54)52-36-39-62-59(42-52)57-25-14-15-27-61(57)66(62)49-21-8-3-9-22-49/h1-42H
InChIKeyLSHNMNHHUWKHRL-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
3-(9,10-diphenylphenanthren-2-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 169065260
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N,N-bis[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-1-amine;N,N-bis[4-(10-phenylphenanthren-9-yl)phenyl]naphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline;3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-phenyl-N,N-bis[4-(10-phenylphenanthren-9-yl)phenyl]aniline;4-phenyl-N,N-bis[4-(10-phenylphenanthren-9-yl)phenyl]aniline;N-phenyl-4-(10-phenylphenanthren-9-yl)-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 163440462
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylnaphthalen-2-yl)phenyl]phenanthren-3-amine
CID 168810012
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine (CID 169064223) is N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is LSHNMNHHUWKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-4-17-45(18-5-1)63-58-26-13-12-24-55(58)56-37-32-47(41-60(56)64(63)46-19-6-2-7-20-46)43-30-33-50(34-31-43)65(51-35-38-54-48(40-51)29-28-44-16-10-11-23-53(44)54)52-36-39-62-59(42-52)57-25-14-15-27-61(57)66(62)49-21-8-3-9-22-49/h1-42H.
What are the key properties of N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine?
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 169064223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).