N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

C61H40N2S — CID 167214656

IUPACN-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-17-41(18-5-1)42-31-34-46(35-32-42)62(57-28-16-30-59-60(57)50-25-12-15-29-58(50)64-59)47-36-38-56-52(40-47)51-39-44(33-37-55(51)63(56)45-21-8-3-9-22-45)61(43-19-6-2-7-20-43)53-26-13-10-23-48(53)49-24-11-14-27-54(49)61/h1-40H
InChIKeyBNMHFIBQKVZTMH-UHFFFAOYSA-N
MW833.07 g/mol
LogP16.65
Rot. Bonds7

About N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167214656) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID167214656
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C61H40N2S/c1-4-17-41(18-5-1)42-31-34-46(35-32-42)62(57-28-16-30-59-60(57)50-25-12-15-29-58(50)64-59)47-36-38-56-52(40-47)51-39-44(33-37-55(51)63(56)45-21-8-3-9-22-45)61(43-19-6-2-7-20-43)53-26-13-10-23-48(53)49-24-11-14-27-54(49)61/h1-40H
InChIKeyBNMHFIBQKVZTMH-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N-[4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491968
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-naphthalen-1-yl-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 167215207
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (CID 167214656) is N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is BNMHFIBQKVZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-4-17-41(18-5-1)42-31-34-46(35-32-42)62(57-28-16-30-59-60(57)50-25-12-15-29-58(50)64-59)47-36-38-56-52(40-47)51-39-44(33-37-55(51)63(56)45-21-8-3-9-22-45)61(43-19-6-2-7-20-43)53-26-13-10-23-48(53)49-24-11-14-27-54(49)61/h1-40H.
What are the key properties of N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?
N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 833.07 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167214656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).