N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C46H30N2O — CID 170034060

IUPACN-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4ccccc4c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-14-31(15-4-1)32-17-13-20-35(28-32)47(43-29-33-16-7-8-21-37(33)45-39-23-10-12-25-44(39)49-46(43)45)36-26-27-42-40(30-36)38-22-9-11-24-41(38)48(42)34-18-5-2-6-19-34/h1-30H
InChIKeyQETLLOCGFJHQQI-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 170034060) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID170034060
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4ccccc4c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C46H30N2O/c1-3-14-31(15-4-1)32-17-13-20-35(28-32)47(43-29-33-16-7-8-21-37(33)45-39-23-10-12-25-44(39)49-46(43)45)36-26-27-42-40(30-36)38-22-9-11-24-41(38)48(42)34-18-5-2-6-19-34/h1-30H
InChIKeyQETLLOCGFJHQQI-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
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-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
CID 167277099
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 149125830
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 148903571
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170779636
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 170034060) is N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4ccccc4c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is QETLLOCGFJHQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-14-31(15-4-1)32-17-13-20-35(28-32)47(43-29-33-16-7-8-21-37(33)45-39-23-10-12-25-44(39)49-46(43)45)36-26-27-42-40(30-36)38-22-9-11-24-41(38)48(42)34-18-5-2-6-19-34/h1-30H.
What are the key properties of N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 170034060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).