N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine

C60H40N2S — CID 129178975

IUPACN,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5c(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-4-14-41(15-5-1)44-26-31-48(32-27-44)61(49-33-28-45(29-34-49)42-16-6-2-7-17-42)51-35-37-59-56(40-51)55-24-13-23-52(60(55)63-59)47-30-36-54-53-22-10-11-25-57(53)62(58(54)39-47)50-21-12-20-46(38-50)43-18-8-3-9-19-43/h1-40H
InChIKeyMBHIIYDUPLZGFF-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine

N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine (PubChem CID 129178975) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
PubChem CID129178975
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5c(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c6)cccc5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-4-14-41(15-5-1)44-26-31-48(32-27-44)61(49-33-28-45(29-34-49)42-16-6-2-7-17-42)51-35-37-59-56(40-51)55-24-13-23-52(60(55)63-59)47-30-36-54-53-22-10-11-25-57(53)62(58(54)39-47)50-21-12-20-46(38-50)43-18-8-3-9-19-43/h1-40H
InChIKeyMBHIIYDUPLZGFF-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
3-dibenzothiophen-4-yl-N,4-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 175298985
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
4-phenyl-N-[4-[7-[8-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzothiophen-4-yl]phenanthren-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 139571835
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
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
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine (CID 129178975) is N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5c(-c6ccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c6)cccc5c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine?
The InChIKey is MBHIIYDUPLZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-14-41(15-5-1)44-26-31-48(32-27-44)61(49-33-28-45(29-34-49)42-16-6-2-7-17-42)51-35-37-59-56(40-51)55-24-13-23-52(60(55)63-59)47-30-36-54-53-22-10-11-25-57(53)62(58(54)39-47)50-21-12-20-46(38-50)43-18-8-3-9-19-43/h1-40H.
What are the key properties of N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine?
N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 129178975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).