9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine

C46H34N2OS — CID 118333317

IUPAC9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C46H34N2OS/c1-46(2)40-13-7-4-10-34(40)35-23-18-31(27-41(35)46)47(29-16-21-33(49-3)22-17-29)32-19-24-37-36-11-5-8-14-42(36)48(43(37)28-32)30-20-25-45-39(26-30)38-12-6-9-15-44(38)50-45/h4-28H,1-3H3
InChIKeyQTUZWXCECRTMCL-UHFFFAOYSA-N
MW662.86 g/mol
LogP12.94
Rot. Bonds5

About 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine

9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine (PubChem CID 118333317) has the molecular formula C46H34N2OS and a molecular weight of 662.86 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
PubChem CID118333317
Molecular FormulaC46H34N2OS
Molecular Weight662.86 g/mol
Exact Mass662.24
IUPAC Name9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C46H34N2OS/c1-46(2)40-13-7-4-10-34(40)35-23-18-31(27-41(35)46)47(29-16-21-33(49-3)22-17-29)32-19-24-37-36-11-5-8-14-42(36)48(43(37)28-32)30-20-25-45-39(26-30)38-12-6-9-15-44(38)50-45/h4-28H,1-3H3
InChIKeyQTUZWXCECRTMCL-UHFFFAOYSA-N
XLogP12.94
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.86
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
CID 118333375
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-[2-(9-dibenzothiophen-2-ylcarbazol-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine;N-dibenzothiophen-3-yl-N-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 158675662
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine
CID 122462728
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine (CID 118333317) is 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine?
The InChIKey is QTUZWXCECRTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2OS/c1-46(2)40-13-7-4-10-34(40)35-23-18-31(27-41(35)46)47(29-16-21-33(49-3)22-17-29)32-19-24-37-36-11-5-8-14-42(36)48(43(37)28-32)30-20-25-45-39(26-30)38-12-6-9-15-44(38)50-45/h4-28H,1-3H3.
What are the key properties of 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine?
9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine has a molecular weight of 662.86 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-methoxyphenyl)carbazol-2-amine is sourced from PubChem (CID 118333317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).