6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine

C45H32N2S — CID 90372269

IUPAC6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21
InChIInChI=1S/C45H32N2S/c1-45(2)38-19-9-6-15-32(38)33-25-23-30(27-39(33)45)46(29-13-4-3-5-14-29)31-24-26-36-37-18-12-22-42(44(37)48-43(36)28-31)47-40-20-10-7-16-34(40)35-17-8-11-21-41(35)47/h3-28H,1-2H3
InChIKeyZNBHUZPXNCBVJH-UHFFFAOYSA-N
MW632.83 g/mol
LogP12.93
Rot. Bonds4

About 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine

6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine (PubChem CID 90372269) has the molecular formula C45H32N2S and a molecular weight of 632.83 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine
PubChem CID90372269
Molecular FormulaC45H32N2S
Molecular Weight632.83 g/mol
Exact Mass632.23
IUPAC Name6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21
InChIInChI=1S/C45H32N2S/c1-45(2)38-19-9-6-15-32(38)33-25-23-30(27-39(33)45)46(29-13-4-3-5-14-29)31-24-26-36-37-18-12-22-42(44(37)48-43(36)28-31)47-40-20-10-7-16-34(40)35-17-8-11-21-41(35)47/h3-28H,1-2H3
InChIKeyZNBHUZPXNCBVJH-UHFFFAOYSA-N
XLogP12.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
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-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
6-benzo[b]carbazol-5-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372111

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine (CID 90372269) is 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccccc65)cccc34)cc21.
What is the InChIKey of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is ZNBHUZPXNCBVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2S/c1-45(2)38-19-9-6-15-32(38)33-25-23-30(27-39(33)45)46(29-13-4-3-5-14-29)31-24-26-36-37-18-12-22-42(44(37)48-43(36)28-31)47-40-20-10-7-16-34(40)35-17-8-11-21-41(35)47/h3-28H,1-2H3.
What are the key properties of 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine?
6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 632.83 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 90372269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).