3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline

C60H40N2O — CID 121443664

IUPAC3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-4-19-49(20-5-1)61(50-21-6-2-7-22-50)52-25-15-18-43(38-52)41-16-14-17-42(34-41)46-35-47(37-48(36-46)45-30-32-55-54-27-11-13-29-59(54)63-60(55)40-45)44-31-33-58-56(39-44)53-26-10-12-28-57(53)62(58)51-23-8-3-9-24-51/h1-40H
InChIKeyFSWMVMSUYOVRQS-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline

3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 121443664) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
PubChem CID121443664
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-4-19-49(20-5-1)61(50-21-6-2-7-22-50)52-25-15-18-43(38-52)41-16-14-17-42(34-41)46-35-47(37-48(36-46)45-30-32-55-54-27-11-13-29-59(54)63-60(55)40-45)44-31-33-58-56(39-44)53-26-10-12-28-57(53)62(58)51-23-8-3-9-24-51/h1-40H
InChIKeyFSWMVMSUYOVRQS-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline (CID 121443664) is 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is FSWMVMSUYOVRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-4-19-49(20-5-1)61(50-21-6-2-7-22-50)52-25-15-18-43(38-52)41-16-14-17-42(34-41)46-35-47(37-48(36-46)45-30-32-55-54-27-11-13-29-59(54)63-60(55)40-45)44-31-33-58-56(39-44)53-26-10-12-28-57(53)62(58)51-23-8-3-9-24-51/h1-40H.
What are the key properties of 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline?
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 121443664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).