3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

C43H26BrN — CID 90215122

IUPAC3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C43H26BrN/c44-29-11-9-10-27(24-29)28-20-23-42-36(25-28)35-15-4-8-19-41(35)45(42)30-21-22-34-33-14-3-7-18-39(33)43(40(34)26-30)37-16-5-1-12-31(37)32-13-2-6-17-38(32)43/h1-26H
InChIKeyNUYOZYRIUDFDIH-UHFFFAOYSA-N
MW636.59 g/mol
LogP11.56
Rot. Bonds2

About 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 90215122) has the molecular formula C43H26BrN and a molecular weight of 636.59 g/mol. Its IUPAC name is 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID90215122
Molecular FormulaC43H26BrN
Molecular Weight636.59 g/mol
Exact Mass635.12
IUPAC Name3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESBrc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C43H26BrN/c44-29-11-9-10-27(24-29)28-20-23-42-36(25-28)35-15-4-8-19-41(35)45(42)30-21-22-34-33-14-3-7-18-39(33)43(40(34)26-30)37-16-5-1-12-31(37)32-13-2-6-17-38(32)43/h1-26H
InChIKeyNUYOZYRIUDFDIH-UHFFFAOYSA-N
XLogP11.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.59
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58410410
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 90215122) is 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is Brc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is NUYOZYRIUDFDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26BrN/c44-29-11-9-10-27(24-29)28-20-23-42-36(25-28)35-15-4-8-19-41(35)45(42)30-21-22-34-33-14-3-7-18-39(33)43(40(34)26-30)37-16-5-1-12-31(37)32-13-2-6-17-38(32)43/h1-26H.
What are the key properties of 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 636.59 g/mol, XLogP of 11.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 90215122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).