N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

C64H41N3O — CID 174288041

IUPACN-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H41N3O/c1-2-20-49-43(16-1)34-38-54-55-41-45(35-39-63(55)68-64(49)54)48-19-3-8-25-56(48)65(61-30-13-14-31-62(61)67-59-28-11-6-23-52(59)53-24-7-12-29-60(53)67)46-36-32-42(33-37-46)44-17-15-18-47(40-44)66-57-26-9-4-21-50(57)51-22-5-10-27-58(51)66/h1-41H
InChIKeyOCGJUYDGONOADN-UHFFFAOYSA-N
MW868.05 g/mol
LogP17.74
Rot. Bonds7

About N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline

N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (PubChem CID 174288041) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
PubChem CID174288041
Molecular FormulaC64H41N3O
Molecular Weight868.05 g/mol
Exact Mass867.32
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
SMILESc1cc(-c2ccc(N(c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H41N3O/c1-2-20-49-43(16-1)34-38-54-55-41-45(35-39-63(55)68-64(49)54)48-19-3-8-25-56(48)65(61-30-13-14-31-62(61)67-59-28-11-6-23-52(59)53-24-7-12-29-60(53)67)46-36-32-42(33-37-46)44-17-15-18-47(40-44)66-57-26-9-4-21-50(57)51-22-5-10-27-58(51)66/h1-41H
InChIKeyOCGJUYDGONOADN-UHFFFAOYSA-N
XLogP17.74
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 153314728
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 167322251
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329439
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174280764
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330483
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
CID 174288542
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 153314977
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330267

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline (CID 174288041) is N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is c1cc(-c2ccc(N(c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
The InChIKey is OCGJUYDGONOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-2-20-49-43(16-1)34-38-54-55-41-45(35-39-63(55)68-64(49)54)48-19-3-8-25-56(48)65(61-30-13-14-31-62(61)67-59-28-11-6-23-52(59)53-24-7-12-29-60(53)67)46-36-32-42(33-37-46)44-17-15-18-47(40-44)66-57-26-9-4-21-50(57)51-22-5-10-27-58(51)66/h1-41H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline?
N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline has a molecular weight of 868.05 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline is sourced from PubChem (CID 174288041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).