N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine

C57H40N2S — CID 145360784

IUPACN-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2C3)cc1C
InChIInChI=1S/C57H40N2S/c1-36-13-6-7-17-45(36)46-28-26-43(31-37(46)2)58(44-27-29-49-48-19-9-11-22-55(48)60-56(49)35-44)54-21-12-14-41-32-40-24-23-38(33-50(40)57(41)54)39-25-30-53-51(34-39)47-18-8-10-20-52(47)59(53)42-15-4-3-5-16-42/h3-31,33-35H,32H2,1-2H3
InChIKeyBXTSDJGEHYGLGH-UHFFFAOYSA-N
MW785.03 g/mol
LogP16.14
Rot. Bonds6

About N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine

N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine (PubChem CID 145360784) has the molecular formula C57H40N2S and a molecular weight of 785.03 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine
PubChem CID145360784
Molecular FormulaC57H40N2S
Molecular Weight785.03 g/mol
Exact Mass784.29
IUPAC NameN-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine
SMILESCc1ccccc1-c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2C3)cc1C
InChIInChI=1S/C57H40N2S/c1-36-13-6-7-17-45(36)46-28-26-43(31-37(46)2)58(44-27-29-49-48-19-9-11-22-55(48)60-56(49)35-44)54-21-12-14-41-32-40-24-23-38(33-50(40)57(41)54)39-25-30-53-51(34-39)47-18-8-10-20-52(47)59(53)42-15-4-3-5-16-42/h3-31,33-35H,32H2,1-2H3
InChIKeyBXTSDJGEHYGLGH-UHFFFAOYSA-N
XLogP16.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.03
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
CID 143813917
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
CID 129293035
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
N-dibenzothiophen-3-yl-6-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 168814330

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine?
The IUPAC name of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine (CID 145360784) is N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine is Cc1ccccc1-c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2C3)cc1C.
What is the InChIKey of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine?
The InChIKey is BXTSDJGEHYGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S/c1-36-13-6-7-17-45(36)46-28-26-43(31-37(46)2)58(44-27-29-49-48-19-9-11-22-55(48)60-56(49)35-44)54-21-12-14-41-32-40-24-23-38(33-50(40)57(41)54)39-25-30-53-51(34-39)47-18-8-10-20-52(47)59(53)42-15-4-3-5-16-42/h3-31,33-35H,32H2,1-2H3.
What are the key properties of N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine?
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine has a molecular weight of 785.03 g/mol, XLogP of 16.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 145360784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).