N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

C50H32N2O — CID 176796058

IUPACN-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C50H32N2O/c1-3-17-37(18-4-1)51(39-28-26-33-14-7-8-16-35(33)30-39)46-32-36(31-43-49-40-21-10-9-15-34(40)27-29-47(49)53-50(43)46)41-23-13-25-45-48(41)42-22-11-12-24-44(42)52(45)38-19-5-2-6-20-38/h1-32H
InChIKeyPJCTUXSSLCDOFW-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine

N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176796058) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176796058
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C50H32N2O/c1-3-17-37(18-4-1)51(39-28-26-33-14-7-8-16-35(33)30-39)46-32-36(31-43-49-40-21-10-9-15-34(40)27-29-47(49)53-50(43)46)41-23-13-25-45-48(41)42-22-11-12-24-44(42)52(45)38-19-5-2-6-20-38/h1-32H
InChIKeyPJCTUXSSLCDOFW-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795638
10-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796105
N-naphthalen-2-yl-8-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795921
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
8-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176795922
N-naphthalen-2-yl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796020
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796157
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795783
N-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176796058) is N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(N(c2ccc3ccccc3c2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is PJCTUXSSLCDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-17-37(18-4-1)51(39-28-26-33-14-7-8-16-35(33)30-39)46-32-36(31-43-49-40-21-10-9-15-34(40)27-29-47(49)53-50(43)46)41-23-13-25-45-48(41)42-22-11-12-24-44(42)52(45)38-19-5-2-6-20-38/h1-32H.
What are the key properties of N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine?
N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176796058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).