N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline

C66H43N3S — CID 147107274

IUPACN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C66H43N3S/c1-8-22-59(68-61-24-10-3-17-53(61)54-18-4-11-25-62(54)68)51(15-1)45-31-38-49(39-32-45)67(48-36-29-44(30-37-48)47-35-42-58-57-21-7-14-28-65(57)70-66(58)43-47)50-40-33-46(34-41-50)52-16-2-9-23-60(52)69-63-26-12-5-19-55(63)56-20-6-13-27-64(56)69/h1-43H
InChIKeyBLUUBPOSPGDATH-UHFFFAOYSA-N
MW910.16 g/mol
LogP18.72
Rot. Bonds8

About N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline

N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline (PubChem CID 147107274) has the molecular formula C66H43N3S and a molecular weight of 910.16 g/mol. Its IUPAC name is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline.

Molecular Properties

Compound NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
PubChem CID147107274
Molecular FormulaC66H43N3S
Molecular Weight910.16 g/mol
Exact Mass909.32
IUPAC NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C66H43N3S/c1-8-22-59(68-61-24-10-3-17-53(61)54-18-4-11-25-62(54)68)51(15-1)45-31-38-49(39-32-45)67(48-36-29-44(30-37-48)47-35-42-58-57-21-7-14-28-65(57)70-66(58)43-47)50-40-33-46(34-41-50)52-16-2-9-23-60(52)69-63-26-12-5-19-55(63)56-20-6-13-27-64(56)69/h1-43H
InChIKeyBLUUBPOSPGDATH-UHFFFAOYSA-N
XLogP18.72
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.16
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 165005699
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 167322587
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline?
The IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline (CID 147107274) is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline.
What is the SMILES notation for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline?
The canonical SMILES for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1.
What is the InChIKey of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline?
The InChIKey is BLUUBPOSPGDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3S/c1-8-22-59(68-61-24-10-3-17-53(61)54-18-4-11-25-62(54)68)51(15-1)45-31-38-49(39-32-45)67(48-36-29-44(30-37-48)47-35-42-58-57-21-7-14-28-65(57)70-66(58)43-47)50-40-33-46(34-41-50)52-16-2-9-23-60(52)69-63-26-12-5-19-55(63)56-20-6-13-27-64(56)69/h1-43H.
What are the key properties of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline?
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline has a molecular weight of 910.16 g/mol, XLogP of 18.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline is sourced from PubChem (CID 147107274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).