N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine

C64H42N2 — CID 168782065

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5ccc6ccc7ccccc7c6c5)cc4)c3c2)cc1
InChIInChI=1S/C64H42N2/c1-3-12-43(13-4-1)50-25-24-47-16-11-21-57(61(47)40-50)48-28-35-54(36-29-48)65(55-37-30-49-23-22-45-14-7-9-19-56(45)62(49)42-55)53-33-26-44(27-34-53)51-32-38-59-60-39-31-46-15-8-10-20-58(46)64(60)66(63(59)41-51)52-17-5-2-6-18-52/h1-42H
InChIKeyHRXGAPHXSWITFF-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.87
Rot. Bonds7

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine (PubChem CID 168782065) 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-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
PubChem CID168782065
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5ccc6ccc7ccccc7c6c5)cc4)c3c2)cc1
InChIInChI=1S/C64H42N2/c1-3-12-43(13-4-1)50-25-24-47-16-11-21-57(61(47)40-50)48-28-35-54(36-29-48)65(55-37-30-49-23-22-45-14-7-9-19-56(45)62(49)42-55)53-33-26-44(27-34-53)51-32-38-59-60-39-31-46-15-8-10-20-58(46)64(60)66(63(59)41-51)52-17-5-2-6-18-52/h1-42H
InChIKeyHRXGAPHXSWITFF-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

4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
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-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156
N-(4-dibenzothiophen-1-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168781750
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine (CID 168782065) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine is c1ccc(-c2ccc3cccc(-c4ccc(N(c5ccc(-c6ccc7c8ccc9ccccc9c8n(-c8ccccc8)c7c6)cc5)c5ccc6ccc7ccccc7c6c5)cc4)c3c2)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
The InChIKey is HRXGAPHXSWITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-3-12-43(13-4-1)50-25-24-47-16-11-21-57(61(47)40-50)48-28-35-54(36-29-48)65(55-37-30-49-23-22-45-14-7-9-19-56(45)62(49)42-55)53-33-26-44(27-34-53)51-32-38-59-60-39-31-46-15-8-10-20-58(46)64(60)66(63(59)41-51)52-17-5-2-6-18-52/h1-42H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-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-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 168782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).