N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine

C56H36N2O — CID 165048142

IUPACN-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc5oc6c7ccccc7ccc6c45)c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)40-19-11-20-41(34-40)38-28-31-45(32-29-38)57(51-26-13-27-53-55(51)47-33-30-39-16-9-10-23-46(39)56(47)59-53)49-24-12-25-50-54(49)48-35-42-17-7-8-18-43(42)36-52(48)58(50)44-21-5-2-6-22-44/h1-36H
InChIKeyPFNZSJDVHJTXHJ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine

N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine (PubChem CID 165048142) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
PubChem CID165048142
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc5oc6c7ccccc7ccc6c45)c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)40-19-11-20-41(34-40)38-28-31-45(32-29-38)57(51-26-13-27-53-55(51)47-33-30-39-16-9-10-23-46(39)56(47)59-53)49-24-12-25-50-54(49)48-35-42-17-7-8-18-43(42)36-52(48)58(50)44-21-5-2-6-22-44/h1-36H
InChIKeyPFNZSJDVHJTXHJ-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 163557742
N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-7-yl-7-phenylbenzo[c]carbazol-10-amine
CID 165058977
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
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
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738232
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-naphthalen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 168781501

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine (CID 165048142) is N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4cccc5oc6c7ccccc7ccc6c45)c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine?
The InChIKey is PFNZSJDVHJTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-14-37(15-4-1)40-19-11-20-41(34-40)38-28-31-45(32-29-38)57(51-26-13-27-53-55(51)47-33-30-39-16-9-10-23-46(39)56(47)59-53)49-24-12-25-50-54(49)48-35-42-17-7-8-18-43(42)36-52(48)58(50)44-21-5-2-6-22-44/h1-36H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine?
N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzofuran-7-yl-5-phenyl-N-[4-(3-phenylphenyl)phenyl]benzo[b]carbazol-1-amine is sourced from PubChem (CID 165048142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).