N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C60H40N2O — CID 90125897

IUPACN-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc45)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-14-41(15-4-1)43-28-34-47(35-29-43)61(48-36-30-44(31-37-48)42-16-5-2-6-17-42)49-38-32-45(33-39-49)51-22-12-24-55-56-25-13-23-52(60(56)63-59(51)55)46-18-11-19-50(40-46)62-57-26-9-7-20-53(57)54-21-8-10-27-58(54)62/h1-40H
InChIKeyTUZYCWDPTQAPKR-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90125897) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90125897
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc45)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-14-41(15-4-1)43-28-34-47(35-29-43)61(48-36-30-44(31-37-48)42-16-5-2-6-17-42)49-38-32-45(33-39-49)51-22-12-24-55-56-25-13-23-52(60(56)63-59(51)55)46-18-11-19-50(40-46)62-57-26-9-7-20-53(57)54-21-8-10-27-58(54)62/h1-40H
InChIKeyTUZYCWDPTQAPKR-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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
CID 90125795
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 155398223

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90125897) is N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is TUZYCWDPTQAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-14-41(15-4-1)43-28-34-47(35-29-43)61(48-36-30-44(31-37-48)42-16-5-2-6-17-42)49-38-32-45(33-39-49)51-22-12-24-55-56-25-13-23-52(60(56)63-59(51)55)46-18-11-19-50(40-46)62-57-26-9-7-20-53(57)54-21-8-10-27-58(54)62/h1-40H.
What are the key properties of N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline 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 N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90125897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).