N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline

C46H30N2O — CID 174280518

IUPACN-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)cc1
InChIInChI=1S/C46H30N2O/c1-2-13-33(14-3-1)47(34-24-26-35(27-25-34)48-43-20-10-7-17-38(43)39-18-8-11-21-44(39)48)42-19-9-6-15-36(42)32-23-29-45-41(30-32)40-28-22-31-12-4-5-16-37(31)46(40)49-45/h1-30H
InChIKeyOQSHPQFFRUQVJH-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline (PubChem CID 174280518) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
PubChem CID174280518
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)cc1
InChIInChI=1S/C46H30N2O/c1-2-13-33(14-3-1)47(34-24-26-35(27-25-34)48-43-20-10-7-17-38(43)39-18-8-11-21-44(39)48)42-19-9-6-15-36(42)32-23-29-45-41(30-32)40-28-22-31-12-4-5-16-37(31)46(40)49-45/h1-30H
InChIKeyOQSHPQFFRUQVJH-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-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
CID 174288542
N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174288041
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743
N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167277374
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline (CID 174280518) is N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc2-c2ccc3oc4c5ccccc5ccc4c3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline?
The InChIKey is OQSHPQFFRUQVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-13-33(14-3-1)47(34-24-26-35(27-25-34)48-43-20-10-7-17-38(43)39-18-8-11-21-44(39)48)42-19-9-6-15-36(42)32-23-29-45-41(30-32)40-28-22-31-12-4-5-16-37(31)46(40)49-45/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline 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-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline is sourced from PubChem (CID 174280518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).