N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline

C64H42N2O — CID 167330639

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-43(16-3-1)44-29-31-45(32-30-44)46-33-38-49(39-34-46)65(59-25-11-9-22-55(59)56-23-14-28-62-63(56)57-42-37-47-17-4-5-19-52(47)64(57)67-62)50-40-35-48(36-41-50)51-18-6-10-24-58(51)66-60-26-12-7-20-53(60)54-21-8-13-27-61(54)66/h1-42H
InChIKeyRYVKMDULKAWRPP-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167330639) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167330639
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-2-15-43(16-3-1)44-29-31-45(32-30-44)46-33-38-49(39-34-46)65(59-25-11-9-22-55(59)56-23-14-28-62-63(56)57-42-37-47-17-4-5-19-52(47)64(57)67-62)50-40-35-48(36-41-50)51-18-6-10-24-58(51)66-60-26-12-7-20-53(60)54-21-8-13-27-61(54)66/h1-42H
InChIKeyRYVKMDULKAWRPP-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330638
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330569
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739680
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330483
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
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
N-(4-carbazol-9-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329843
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167330639) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RYVKMDULKAWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-15-43(16-3-1)44-29-31-45(32-30-44)46-33-38-49(39-34-46)65(59-25-11-9-22-55(59)56-23-14-28-62-63(56)57-42-37-47-17-4-5-19-52(47)64(57)67-62)50-40-35-48(36-41-50)51-18-6-10-24-58(51)66-60-26-12-7-20-53(60)54-21-8-13-27-61(54)66/h1-42H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167330639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).