2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

C39H28BrN — CID 142754174

IUPAC2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(Br)cc6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C39H28BrN/c1-39(2)35-11-7-6-10-31(35)32-19-14-26(22-36(32)39)28-16-21-34-33-20-15-27(25-12-17-29(40)18-13-25)23-37(33)41(38(34)24-28)30-8-4-3-5-9-30/h3-24H,1-2H3
InChIKeyLVYISTAGFPIJPD-UHFFFAOYSA-N
MW590.56 g/mol
LogP11.19
Rot. Bonds3

About 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 142754174) has the molecular formula C39H28BrN and a molecular weight of 590.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
PubChem CID142754174
Molecular FormulaC39H28BrN
Molecular Weight590.56 g/mol
Exact Mass589.14
IUPAC Name2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(Br)cc6)cc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C39H28BrN/c1-39(2)35-11-7-6-10-31(35)32-19-14-26(22-36(32)39)28-16-21-34-33-20-15-27(25-12-17-29(40)18-13-25)23-37(33)41(38(34)24-28)30-8-4-3-5-9-30/h3-24H,1-2H3
InChIKeyLVYISTAGFPIJPD-UHFFFAOYSA-N
XLogP11.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.56
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 122599868
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-(9,9-dimethylfluoren-2-yl)-15-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123512270
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
8,18-bis(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-11-phenyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.019,28.021,26]octacosa-1(16),2(14),3,5(10),6,8,12,17,19,21,23,25,27-tridecaene
CID 146227993
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (CID 142754174) is 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(Br)cc6)cc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is LVYISTAGFPIJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BrN/c1-39(2)35-11-7-6-10-31(35)32-19-14-26(22-36(32)39)28-16-21-34-33-20-15-27(25-12-17-29(40)18-13-25)23-37(33)41(38(34)24-28)30-8-4-3-5-9-30/h3-24H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole has a molecular weight of 590.56 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 142754174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).