3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole

C46H35NS — CID 145108670

IUPAC3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
SMILESC=C(C)c1ccc2sc3ccc(-c4cccc(N5c6ccccc6C6=CC(c7ccc8c(c7)C7=C(CCC=C7)C8)=CCC65)c4)cc3c2c1
InChIInChI=1S/C46H35NS/c1-28(2)29-17-20-45-41(24-29)42-27-33(18-21-46(42)48-45)30-9-7-10-36(23-30)47-43-13-6-5-12-38(43)40-26-32(16-19-44(40)47)31-14-15-35-22-34-8-3-4-11-37(34)39(35)25-31/h4-7,9-18,20-21,23-27,44H,1,3,8,19,22H2,2H3
InChIKeySREOVLHOKZRIDB-UHFFFAOYSA-N
MW633.86 g/mol
LogP12.81
Rot. Bonds4

About 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole

3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole (PubChem CID 145108670) has the molecular formula C46H35NS and a molecular weight of 633.86 g/mol. Its IUPAC name is 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
PubChem CID145108670
Molecular FormulaC46H35NS
Molecular Weight633.86 g/mol
Exact Mass633.25
IUPAC Name3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole
SMILESC=C(C)c1ccc2sc3ccc(-c4cccc(N5c6ccccc6C6=CC(c7ccc8c(c7)C7=C(CCC=C7)C8)=CCC65)c4)cc3c2c1
InChIInChI=1S/C46H35NS/c1-28(2)29-17-20-45-41(24-29)42-27-33(18-21-46(42)48-45)30-9-7-10-36(23-30)47-43-13-6-5-12-38(43)40-26-32(16-19-44(40)47)31-14-15-35-22-34-8-3-4-11-37(34)39(35)25-31/h4-7,9-18,20-21,23-27,44H,1,3,8,19,22H2,2H3
InChIKeySREOVLHOKZRIDB-UHFFFAOYSA-N
XLogP12.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.86
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-9-phenyl-1,9a-dihydrocarbazole
CID 144661384
3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
CID 144632066
3-[8-[3-(8,9-dihydro-7H-fluoren-3-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 144605224
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
3-[(8aR)-9-phenyl-8,8a-dihydrocarbazol-3-yl]-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 163822230
6,11-di(dibenzofuran-2-yl)-21-phenyl-2,21-diaza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(25),5,7,9(27),10,12,15(20),16,22(26),23-decaene
CID 163987696
9-(4a,8,9,9b-tetrahydrodibenzofuran-1-yl)-3-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 169037185
7-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6,6a-dihydro-[1]benzothiolo[2,3-b]carbazole
CID 129238882
N-[3,6-bis[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]-2-methylphenyl]-1-(8,9-dihydro-7H-fluoren-3-yl)ethanimine
CID 144624203
4b-methyl-9-phenyl-6-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-8aH-carbazole
CID 130453266
1-dibenzofuran-1-yl-N-[1-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]ethenyl]ethanimine;2-prop-1-en-2-yldibenzothiophene
CID 156734611
N-[6-[4-(6,7-dihydrodibenzothiophen-2-yl)phenyl]-2-methyl-3-[4-[4-methyl-3-(2-methylcyclohexen-1-yl)phenyl]phenyl]phenyl]-1-[4-(8,9-dihydro-7H-fluoren-3-yl)phenyl]ethanimine
CID 144624159

Frequently Asked Questions

What is the IUPAC name of 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole?
The IUPAC name of 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole (CID 145108670) is 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole.
What is the SMILES notation for 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole?
The canonical SMILES for 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole is C=C(C)c1ccc2sc3ccc(-c4cccc(N5c6ccccc6C6=CC(c7ccc8c(c7)C7=C(CCC=C7)C8)=CCC65)c4)cc3c2c1.
What is the InChIKey of 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole?
The InChIKey is SREOVLHOKZRIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NS/c1-28(2)29-17-20-45-41(24-29)42-27-33(18-21-46(42)48-45)30-9-7-10-36(23-30)47-43-13-6-5-12-38(43)40-26-32(16-19-44(40)47)31-14-15-35-22-34-8-3-4-11-37(34)39(35)25-31/h4-7,9-18,20-21,23-27,44H,1,3,8,19,22H2,2H3.
What are the key properties of 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole?
3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole has a molecular weight of 633.86 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,9-dihydro-7H-fluoren-3-yl)-9-[3-(8-prop-1-en-2-yldibenzothiophen-2-yl)phenyl]-1,9a-dihydrocarbazole is sourced from PubChem (CID 145108670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).