2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole

C49H30Br2N2 — CID 174722442

IUPAC2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)c1cc(Br)ccc1-2
InChIInChI=1S/C49H30Br2N2/c50-33-21-25-37-38-26-22-34(51)30-44(38)49(43(37)29-33,31-19-23-41-39-15-7-9-17-45(39)52(47(41)27-31)35-11-3-1-4-12-35)32-20-24-42-40-16-8-10-18-46(40)53(48(42)28-32)36-13-5-2-6-14-36/h1-30H
InChIKeyJXJCXQMOIWNWCJ-UHFFFAOYSA-N
MW806.60 g/mol
LogP13.77
Rot. Bonds4

About 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole

2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole (PubChem CID 174722442) has the molecular formula C49H30Br2N2 and a molecular weight of 806.60 g/mol. Its IUPAC name is 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole
PubChem CID174722442
Molecular FormulaC49H30Br2N2
Molecular Weight806.60 g/mol
Exact Mass804.08
IUPAC Name2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole
SMILESBrc1ccc2c(c1)C(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)c1cc(Br)ccc1-2
InChIInChI=1S/C49H30Br2N2/c50-33-21-25-37-38-26-22-34(51)30-44(38)49(43(37)29-33,31-19-23-41-39-15-7-9-17-45(39)52(47(41)27-31)35-11-3-1-4-12-35)32-20-24-42-40-16-8-10-18-46(40)53(48(42)28-32)36-13-5-2-6-14-36/h1-30H
InChIKeyJXJCXQMOIWNWCJ-UHFFFAOYSA-N
XLogP13.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.60
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,7-dibromo-9-(9-phenylcarbazol-3-yl)fluoren-9-yl]-9-phenylcarbazole
CID 102125302
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
9-(4-carbazol-9-ylphenyl)-3-[9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-2,7-dimethylfluoren-9-yl]carbazole
CID 58412014
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
2-[9,9-bis(4-nitrophenyl)-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9-phenylcarbazole
CID 155171626
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
2-bromo-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole
CID 90216123
10-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 122470341
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole (CID 174722442) is 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole is Brc1ccc2c(c1)C(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)(c1ccc3c4ccccc4n(-c4ccccc4)c3c1)c1cc(Br)ccc1-2.
What is the InChIKey of 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole?
The InChIKey is JXJCXQMOIWNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30Br2N2/c50-33-21-25-37-38-26-22-34(51)30-44(38)49(43(37)29-33,31-19-23-41-39-15-7-9-17-45(39)52(47(41)27-31)35-11-3-1-4-12-35)32-20-24-42-40-16-8-10-18-46(40)53(48(42)28-32)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole?
2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole has a molecular weight of 806.60 g/mol, XLogP of 13.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-dibromo-9-(9-phenylcarbazol-2-yl)fluoren-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 174722442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).