3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline

C64H42N2O — CID 176765099

IUPAC3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccc6oc7ccccc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)45-27-32-51(33-28-45)65(53-22-14-19-47(39-53)44-17-6-2-7-18-44)52-34-29-46(30-35-52)49-40-58(54-37-38-63-64(59(54)41-49)57-24-11-13-26-62(57)67-63)48-31-36-56-55-23-10-12-25-60(55)66(61(56)42-48)50-20-8-3-9-21-50/h1-42H
InChIKeyXAXRKLQYHBWOKA-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline

3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 176765099) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID176765099
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC Name3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccc6oc7ccccc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)45-27-32-51(33-28-45)65(53-22-14-19-47(39-53)44-17-6-2-7-18-44)52-34-29-46(30-35-52)49-40-58(54-37-38-63-64(59(54)41-49)57-24-11-13-26-62(57)67-63)48-31-36-56-55-23-10-12-25-60(55)66(61(56)42-48)50-20-8-3-9-21-50/h1-42H
InChIKeyXAXRKLQYHBWOKA-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

5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253
3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 121443717
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795911
3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 162242115
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 176765099) is 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccc6oc7ccccc7c6c5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is XAXRKLQYHBWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-4-15-43(16-5-1)45-27-32-51(33-28-45)65(53-22-14-19-47(39-53)44-17-6-2-7-18-44)52-34-29-46(30-35-52)49-40-58(54-37-38-63-64(59(54)41-49)57-24-11-13-26-62(57)67-63)48-31-36-56-55-23-10-12-25-60(55)66(61(56)42-48)50-20-8-3-9-21-50/h1-42H.
What are the key properties of 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline?
3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)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 3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176765099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).