N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine

C52H34N2O — CID 170033639

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-13-35(14-4-1)38-15-11-18-42(33-38)53(48-23-12-21-44-43-19-7-9-22-47(43)54(52(44)48)40-16-5-2-6-17-40)41-30-27-36(28-31-41)39-26-25-37-29-32-50-51(46(37)34-39)45-20-8-10-24-49(45)55-50/h1-34H
InChIKeyKPZPXXTWOPOXLZ-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine (PubChem CID 170033639) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
PubChem CID170033639
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-13-35(14-4-1)38-15-11-18-42(33-38)53(48-23-12-21-44-43-19-7-9-22-47(43)54(52(44)48)40-16-5-2-6-17-40)41-30-27-36(28-31-41)39-26-25-37-29-32-50-51(46(37)34-39)45-20-8-10-24-49(45)55-50/h1-34H
InChIKeyKPZPXXTWOPOXLZ-UHFFFAOYSA-N
XLogP14.64
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167124903
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167130031
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 157236630
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796105

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine (CID 170033639) is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The InChIKey is KPZPXXTWOPOXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-13-35(14-4-1)38-15-11-18-42(33-38)53(48-23-12-21-44-43-19-7-9-22-47(43)54(52(44)48)40-16-5-2-6-17-40)41-30-27-36(28-31-41)39-26-25-37-29-32-50-51(46(37)34-39)45-20-8-10-24-49(45)55-50/h1-34H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170033639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).