N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C52H34N2O — CID 167143213

IUPACN-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(-c3cc4c5cc(N(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc5oc4c4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)36-17-13-18-37(31-36)46-34-48-47-33-41(29-30-51(47)55-52(48)45-26-8-7-23-42(45)46)53(38-19-5-2-6-20-38)39-21-14-22-40(32-39)54-49-27-11-9-24-43(49)44-25-10-12-28-50(44)54/h1-34H
InChIKeyRKVUVGXEGJAQDV-UHFFFAOYSA-N
MW702.86 g/mol
LogP14.64
Rot. Bonds6

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

N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167143213) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167143213
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(-c3cc4c5cc(N(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc5oc4c4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2O/c1-3-15-35(16-4-1)36-17-13-18-37(31-36)46-34-48-47-33-41(29-30-51(47)55-52(48)45-26-8-7-23-42(45)46)53(38-19-5-2-6-20-38)39-21-14-22-40(32-39)54-49-27-11-9-24-43(49)44-25-10-12-28-50(44)54/h1-34H
InChIKeyRKVUVGXEGJAQDV-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,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
CID 167402090
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167143696
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-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163655388
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315073
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-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 167143213) is N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2cccc(-c3cc4c5cc(N(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc5oc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is RKVUVGXEGJAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-15-35(16-4-1)36-17-13-18-37(31-36)46-34-48-47-33-41(29-30-51(47)55-52(48)45-26-8-7-23-42(45)46)53(38-19-5-2-6-20-38)39-21-14-22-40(32-39)54-49-27-11-9-24-43(49)44-25-10-12-28-50(44)54/h1-34H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-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-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167143213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).