N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline

C54H36N2O — CID 134252450

IUPACN,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-28-32-44(33-29-39)55(42-16-6-2-7-17-42)45-34-30-40(31-35-45)38-24-26-41(27-25-38)48-36-49-46-20-11-13-23-51(46)57-54(49)52-47-21-10-12-22-50(47)56(53(48)52)43-18-8-3-9-19-43/h1-36H
InChIKeyPGUAWKWZLKIJEW-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline (PubChem CID 134252450) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
PubChem CID134252450
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-28-32-44(33-29-39)55(42-16-6-2-7-17-42)45-34-30-40(31-35-45)38-24-26-41(27-25-38)48-36-49-46-20-11-13-23-51(46)57-54(49)52-47-21-10-12-22-50(47)56(53(48)52)43-18-8-3-9-19-43/h1-36H
InChIKeyPGUAWKWZLKIJEW-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
CID 134252380
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
CID 118545715

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline (CID 134252450) is N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline?
The InChIKey is PGUAWKWZLKIJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-28-32-44(33-29-39)55(42-16-6-2-7-17-42)45-34-30-40(31-35-45)38-24-26-41(27-25-38)48-36-49-46-20-11-13-23-51(46)57-54(49)52-47-21-10-12-22-50(47)56(53(48)52)43-18-8-3-9-19-43/h1-36H.
What are the key properties of N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 134252450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).