N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C52H34N2O — CID 171738262

IUPACN-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-28-31-40(32-29-38)53(49-22-11-23-50-51(49)46-33-30-39-14-4-5-17-43(39)52(46)55-50)41-15-10-16-42(34-41)54-47-20-8-6-18-44(47)45-19-7-9-21-48(45)54/h1-34H/i28D,29D,31D,32D
InChIKeySAPKMVWLKGRPDF-NWHQXXNZSA-N
MW706.88 g/mol
LogP14.64
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738262) has the molecular formula C52H34N2O and a molecular weight of 706.88 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738262
Molecular FormulaC52H34N2O
Molecular Weight706.88 g/mol
Exact Mass706.29
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILES[2H]c1c([2H])c(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-28-31-40(32-29-38)53(49-22-11-23-50-51(49)46-33-30-39-14-4-5-17-43(39)52(46)55-50)41-15-10-16-42(34-41)54-47-20-8-6-18-44(47)45-19-7-9-21-48(45)54/h1-34H/i28D,29D,31D,32D
InChIKeySAPKMVWLKGRPDF-NWHQXXNZSA-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 ≤ 500706.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738692
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738223
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738968
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737943
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737415
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737957
N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739595
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739169
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738621
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739231

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738262) is N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SAPKMVWLKGRPDF-NWHQXXNZSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-12-35(13-3-1)36-24-26-37(27-25-36)38-28-31-40(32-29-38)53(49-22-11-23-50-51(49)46-33-30-39-14-4-5-17-43(39)52(46)55-50)41-15-10-16-42(34-41)54-47-20-8-6-18-44(47)45-19-7-9-21-48(45)54/h1-34H/i28D,29D,31D,32D.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 706.88 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-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).