4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C92H53Br2N3 — CID 144904757

IUPAC4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)C7(c9ccccc9-c9c(Br)cccc97)c7c-8ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c78)cccc65)cc4)c3c21
InChIInChI=1S/C92H53Br2N3/c93-78-33-17-31-75-85(78)69-24-5-11-29-73(69)91(75)72-28-10-4-21-61(72)65-49-51-67-63-22-8-14-36-81(63)97(89(67)87(65)91)59-46-44-57(45-47-59)95-82-37-15-9-26-71(82)84-60(27-16-38-83(84)95)56-41-48-62-66-50-52-68-64-23-7-13-35-80(64)96(58-42-39-55(40-43-58)54-19-2-1-3-20-54)90(68)88(66)92(77(62)53-56)74-30-12-6-25-70(74)86-76(92)32-18-34-79(86)94/h1-53H
InChIKeyZSHZMBVDRLWURZ-UHFFFAOYSA-N
MW1360.27 g/mol
LogP24.52
Rot. Bonds5

About 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 144904757) has the molecular formula C92H53Br2N3 and a molecular weight of 1360.27 g/mol. Its IUPAC name is 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID144904757
Molecular FormulaC92H53Br2N3
Molecular Weight1360.27 g/mol
Exact Mass1357.26
IUPAC Name4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)C7(c9ccccc9-c9c(Br)cccc97)c7c-8ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c78)cccc65)cc4)c3c21
InChIInChI=1S/C92H53Br2N3/c93-78-33-17-31-75-85(78)69-24-5-11-29-73(69)91(75)72-28-10-4-21-61(72)65-49-51-67-63-22-8-14-36-81(63)97(89(67)87(65)91)59-46-44-57(45-47-59)95-82-37-15-9-26-71(82)84-60(27-16-38-83(84)95)56-41-48-62-66-50-52-68-64-23-7-13-35-80(64)96(58-42-39-55(40-43-58)54-19-2-1-3-20-54)90(68)88(66)92(77(62)53-56)74-30-12-6-25-70(74)86-76(92)32-18-34-79(86)94/h1-53H
InChIKeyZSHZMBVDRLWURZ-UHFFFAOYSA-N
XLogP24.52
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms97
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.27
LogP ≤ 524.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 144904757) is 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)C7(c9ccccc9-c9c(Br)cccc97)c7c-8ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c78)cccc65)cc4)c3c21.
What is the InChIKey of 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is ZSHZMBVDRLWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H53Br2N3/c93-78-33-17-31-75-85(78)69-24-5-11-29-73(69)91(75)72-28-10-4-21-61(72)65-49-51-67-63-22-8-14-36-81(63)97(89(67)87(65)91)59-46-44-57(45-47-59)95-82-37-15-9-26-71(82)84-60(27-16-38-83(84)95)56-41-48-62-66-50-52-68-64-23-7-13-35-80(64)96(58-42-39-55(40-43-58)54-19-2-1-3-20-54)90(68)88(66)92(77(62)53-56)74-30-12-6-25-70(74)86-76(92)32-18-34-79(86)94/h1-53H.
What are the key properties of 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 1360.27 g/mol, XLogP of 24.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 144904757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).