9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol

C35H28BrNO — CID 59404171

IUPAC9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(O)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C35H28BrNO/c1-34(2,3)22-12-16-25(17-13-22)37-32-18-14-23(20-28(32)29-21-24(36)15-19-33(29)37)35(38)30-10-6-4-8-26(30)27-9-5-7-11-31(27)35/h4-21,38H,1-3H3
InChIKeySSWPFQMJUIIRNO-UHFFFAOYSA-N
MW558.52 g/mol
LogP9.11
Rot. Bonds2

About 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol

9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol (PubChem CID 59404171) has the molecular formula C35H28BrNO and a molecular weight of 558.52 g/mol. Its IUPAC name is 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol.

Molecular Properties

Compound Name9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol
PubChem CID59404171
Molecular FormulaC35H28BrNO
Molecular Weight558.52 g/mol
Exact Mass557.14
IUPAC Name9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(O)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C35H28BrNO/c1-34(2,3)22-12-16-25(17-13-22)37-32-18-14-23(20-28(32)29-21-24(36)15-19-33(29)37)35(38)30-10-6-4-8-26(30)27-9-5-7-11-31(27)35/h4-21,38H,1-3H3
InChIKeySSWPFQMJUIIRNO-UHFFFAOYSA-N
XLogP9.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
3-[9-[9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]-9-(4-tert-butylphenyl)-6-phenylcarbazole
CID 59561645
3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
CID 68542986
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
CID 102125302
3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284775
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798

Frequently Asked Questions

What is the IUPAC name of 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol?
The IUPAC name of 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol (CID 59404171) is 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol.
What is the SMILES notation for 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol?
The canonical SMILES for 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol is CC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(O)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol?
The InChIKey is SSWPFQMJUIIRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28BrNO/c1-34(2,3)22-12-16-25(17-13-22)37-32-18-14-23(20-28(32)29-21-24(36)15-19-33(29)37)35(38)30-10-6-4-8-26(30)27-9-5-7-11-31(27)35/h4-21,38H,1-3H3.
What are the key properties of 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol?
9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol has a molecular weight of 558.52 g/mol, XLogP of 9.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-ol is sourced from PubChem (CID 59404171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).