3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole

C53H39NS — CID 144578843

IUPAC3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole
SMILESCc1c(C(C)(C)c2ccccc2)ccc2c1sc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7)ccc54)cc3)cccc12
InChIInChI=1S/C53H39NS/c1-33-48(53(2,3)39-13-5-4-6-14-39)28-27-45-44-18-11-17-42(52(44)55-51(33)45)34-22-25-40(26-23-34)54-49-19-10-9-16-43(49)47-32-36(24-29-50(47)54)35-20-21-38-30-37-12-7-8-15-41(37)46(38)31-35/h4-29,31-32H,30H2,1-3H3
InChIKeyDKQXPTCNZPHXCU-UHFFFAOYSA-N
MW721.97 g/mol
LogP14.69
Rot. Bonds5

About 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole

3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole (PubChem CID 144578843) has the molecular formula C53H39NS and a molecular weight of 721.97 g/mol. Its IUPAC name is 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole
PubChem CID144578843
Molecular FormulaC53H39NS
Molecular Weight721.97 g/mol
Exact Mass721.28
IUPAC Name3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole
SMILESCc1c(C(C)(C)c2ccccc2)ccc2c1sc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7)ccc54)cc3)cccc12
InChIInChI=1S/C53H39NS/c1-33-48(53(2,3)39-13-5-4-6-14-39)28-27-45-44-18-11-17-42(52(44)55-51(33)45)34-22-25-40(26-23-34)54-49-19-10-9-16-43(49)47-32-36(24-29-50(47)54)35-20-21-38-30-37-12-7-8-15-41(37)46(38)31-35/h4-29,31-32H,30H2,1-3H3
InChIKeyDKQXPTCNZPHXCU-UHFFFAOYSA-N
XLogP14.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.97
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
10-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118562678
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]carbazole;1,3-dibromobenzene;4-(9H-fluoren-3-yl)dibenzothiophene
CID 159985652
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole?
The IUPAC name of 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole (CID 144578843) is 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole?
The canonical SMILES for 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole is Cc1c(C(C)(C)c2ccccc2)ccc2c1sc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)-c6ccccc6C7)ccc54)cc3)cccc12.
What is the InChIKey of 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole?
The InChIKey is DKQXPTCNZPHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NS/c1-33-48(53(2,3)39-13-5-4-6-14-39)28-27-45-44-18-11-17-42(52(44)55-51(33)45)34-22-25-40(26-23-34)54-49-19-10-9-16-43(49)47-32-36(24-29-50(47)54)35-20-21-38-30-37-12-7-8-15-41(37)46(38)31-35/h4-29,31-32H,30H2,1-3H3.
What are the key properties of 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole?
3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole has a molecular weight of 721.97 g/mol, XLogP of 14.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole is sourced from PubChem (CID 144578843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).