9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine

C52H34N2O — CID 167143696

IUPAC9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c5cc(-c6ccccc6)ccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-24-27-40(28-25-37)53(41-29-30-49-45(33-41)43-21-12-13-23-48(43)54(49)39-18-8-3-9-19-39)50-34-47-46-32-38(36-16-6-2-7-17-36)26-31-51(46)55-52(47)44-22-11-10-20-42(44)50/h1-34H
InChIKeyWZPBQGCPESXAAN-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

About 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine

9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167143696) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID167143696
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c5cc(-c6ccccc6)ccc5oc4c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-24-27-40(28-25-37)53(41-29-30-49-45(33-41)43-21-12-13-23-48(43)54(49)39-18-8-3-9-19-39)50-34-47-46-32-38(36-16-6-2-7-17-36)26-31-51(46)55-52(47)44-22-11-10-20-42(44)50/h1-34H
InChIKeyWZPBQGCPESXAAN-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-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
CID 71038542
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 169294633

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine (CID 167143696) is 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c5cc(-c6ccccc6)ccc5oc4c4ccccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is WZPBQGCPESXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-4-14-35(15-5-1)37-24-27-40(28-25-37)53(41-29-30-49-45(33-41)43-21-12-13-23-48(43)54(49)39-18-8-3-9-19-39)50-34-47-46-32-38(36-16-6-2-7-17-36)26-31-51(46)55-52(47)44-22-11-10-20-42(44)50/h1-34H.
What are the key properties of 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine?
9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-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 9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167143696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).