N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

C68H44N2O — CID 176820754

IUPACN-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C68H44N2O/c1-4-16-45(17-5-1)46-30-32-50(33-31-46)58-42-43-63(66-59-24-12-13-29-64(59)71-68(58)66)69(54-41-38-51-35-34-48-20-10-11-23-55(48)61(51)44-54)53-39-36-49(37-40-53)56-25-15-28-62-65(56)60-27-14-26-57(47-18-6-2-7-19-47)67(60)70(62)52-21-8-3-9-22-52/h1-44H
InChIKeyZMKMBGOJDSOCMN-UHFFFAOYSA-N
MW905.11 g/mol
LogP19.13
Rot. Bonds8

About N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176820754) has the molecular formula C68H44N2O and a molecular weight of 905.11 g/mol. Its IUPAC name is N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID176820754
Molecular FormulaC68H44N2O
Molecular Weight905.11 g/mol
Exact Mass904.35
IUPAC NameN-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C68H44N2O/c1-4-16-45(17-5-1)46-30-32-50(33-31-46)58-42-43-63(66-59-24-12-13-29-64(59)71-68(58)66)69(54-41-38-51-35-34-48-20-10-11-23-55(48)61(51)44-54)53-39-36-49(37-40-53)56-25-15-28-62-65(56)60-27-14-26-57(47-18-6-2-7-19-47)67(60)70(62)52-21-8-3-9-22-52/h1-44H
InChIKeyZMKMBGOJDSOCMN-UHFFFAOYSA-N
XLogP19.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.11
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 168848110
N-phenanthren-3-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820620
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine (CID 176820754) is N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5c5cccc(-c7ccccc7)c5n6-c5ccccc5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is ZMKMBGOJDSOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O/c1-4-16-45(17-5-1)46-30-32-50(33-31-46)58-42-43-63(66-59-24-12-13-29-64(59)71-68(58)66)69(54-41-38-51-35-34-48-20-10-11-23-55(48)61(51)44-54)53-39-36-49(37-40-53)56-25-15-28-62-65(56)60-27-14-26-57(47-18-6-2-7-19-47)67(60)70(62)52-21-8-3-9-22-52/h1-44H.
What are the key properties of N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine?
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 905.11 g/mol, XLogP of 19.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176820754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).