N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine

C52H34N2O — CID 170034219

IUPACN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)37-18-13-21-41(33-37)53(48-27-14-25-44-43-23-9-11-26-47(43)54(51(44)48)39-19-5-2-6-20-39)40-31-29-36(30-32-40)46-34-38-17-7-8-22-42(38)50-45-24-10-12-28-49(45)55-52(46)50/h1-34H
InChIKeyQYNBAQAJLRPVQX-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine

N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine (PubChem CID 170034219) 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-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
PubChem CID170034219
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)37-18-13-21-41(33-37)53(48-27-14-25-44-43-23-9-11-26-47(43)54(51(44)48)39-19-5-2-6-20-39)40-31-29-36(30-32-40)46-34-38-17-7-8-22-42(38)50-45-24-10-12-28-49(45)55-52(46)50/h1-34H
InChIKeyQYNBAQAJLRPVQX-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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170034060
3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163949527
bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 165016258
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721890
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine (CID 170034219) is N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc5ccccc5c5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
The InChIKey is QYNBAQAJLRPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-15-35(16-4-1)37-18-13-21-41(33-37)53(48-27-14-25-44-43-23-9-11-26-47(43)54(51(44)48)39-19-5-2-6-20-39)40-31-29-36(30-32-40)46-34-38-17-7-8-22-42(38)50-45-24-10-12-28-49(45)55-52(46)50/h1-34H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine?
N-(4-naphtho[2,1-b][1]benzofuran-6-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-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 170034219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).