9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine

C49H34N2S — CID 118333375

IUPAC9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34N2S/c1-49(2)43-29-34(21-25-37(43)41-24-20-31-12-6-7-15-36(31)48(41)49)50(32-13-4-3-5-14-32)35-22-26-39-38-16-8-10-18-44(38)51(45(39)30-35)33-23-27-47-42(28-33)40-17-9-11-19-46(40)52-47/h3-30H,1-2H3
InChIKeyBYJNOMNTYVLUNN-UHFFFAOYSA-N
MW682.89 g/mol
LogP14.08
Rot. Bonds4

About 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine

9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine (PubChem CID 118333375) has the molecular formula C49H34N2S and a molecular weight of 682.89 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
PubChem CID118333375
Molecular FormulaC49H34N2S
Molecular Weight682.89 g/mol
Exact Mass682.24
IUPAC Name9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34N2S/c1-49(2)43-29-34(21-25-37(43)41-24-20-31-12-6-7-15-36(31)48(41)49)50(32-13-4-3-5-14-32)35-22-26-39-38-16-8-10-18-44(38)51(45(39)30-35)33-23-27-47-42(28-33)40-17-9-11-19-46(40)52-47/h3-30H,1-2H3
InChIKeyBYJNOMNTYVLUNN-UHFFFAOYSA-N
XLogP14.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
CID 118333317
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-(9,9-dimethylfluoren-2-yl)-5,5,6,6-tetramethyl-N-phenylpicen-3-amine;N-phenyl-N-(5,5,6,6-tetramethylpicen-3-yl)dibenzothiophen-2-amine;9-[4-(5,5,6,6-tetramethylpicen-3-yl)phenyl]carbazole
CID 163664990
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenyl-9-pyridin-4-ylcarbazol-3-amine
CID 146926294
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
CID 146491208
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine (CID 118333375) is 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine?
The InChIKey is BYJNOMNTYVLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S/c1-49(2)43-29-34(21-25-37(43)41-24-20-31-12-6-7-15-36(31)48(41)49)50(32-13-4-3-5-14-32)35-22-26-39-38-16-8-10-18-44(38)51(45(39)30-35)33-23-27-47-42(28-33)40-17-9-11-19-46(40)52-47/h3-30H,1-2H3.
What are the key properties of 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine?
9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine has a molecular weight of 682.89 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 118333375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).