12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]

C102H61Br3F3N3 — CID 162596141

About 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]

12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole] (PubChem CID 162596141) has the molecular formula C102H61Br3F3N3 and a molecular weight of 1625.34 g/mol. Its IUPAC name is 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole].

Molecular Properties

• Compound Name: 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]
• PubChem CID: 162596141
• Molecular Formula: C102H61Br3F3N3
• Molecular Weight: 1625.34 g/mol
• Exact Mass: 1621.24
• IUPAC Name: 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]
• SMILES: FC(F)(F)c1cccc(Cn2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3ccccc3-c3c(-c4ccc(-c5ccc(Cn6c7ccccc7c7ccc8c(c76)-c6ccccc6C86c7ccccc7-c7c6ccc6c8ccccc8n(Cc8ccc(-c9ccccc9)cc8Br)c76)c(Br)c5)cc4)cccc32)c1Br
• InChI: InChI=1S/C102H61Br3F3N3/c103-88-52-62(59-20-2-1-3-21-59)44-46-64(88)56-110-91-38-16-8-24-69(91)72-48-50-84-95(98(72)110)75-28-6-13-33-81(75)100(84)82-34-14-7-29-76(82)96-85(100)51-49-73-70-25-9-17-39-92(70)111(99(73)96)57-65-47-45-63(53-89(65)104)60-40-42-61(43-41-60)67-30-19-35-83-94(67)74-27-5-12-32-80(74)101(83)79-31-11-4-23-68(79)77-54-78-71-26-10-15-37-90(71)109(93(78)55-87(77)101)58-66-22-18-36-86(97(66)105)102(106,107)108/h1-55H,56-58H2
• InChIKey: KDONJLNOXJXMSD-UHFFFAOYSA-N
• XLogP: 28.15
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.34
LogP ≤ 5	28.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]?

The IUPAC name of 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole] (CID 162596141) is 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole].

What is the SMILES notation for 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]?

The canonical SMILES for 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole] is FC(F)(F)c1cccc(Cn2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3ccccc3-c3c(-c4ccc(-c5ccc(Cn6c7ccccc7c7ccc8c(c76)-c6ccccc6C86c7ccccc7-c7c6ccc6c8ccccc8n(Cc8ccc(-c9ccccc9)cc8Br)c76)c(Br)c5)cc4)cccc32)c1Br.

What is the InChIKey of 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]?

The InChIKey is KDONJLNOXJXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H61Br3F3N3/c103-88-52-62(59-20-2-1-3-21-59)44-46-64(88)56-110-91-38-16-8-24-69(91)72-48-50-84-95(98(72)110)75-28-6-13-33-81(75)100(84)82-34-14-7-29-76(82)96-85(100)51-49-73-70-25-9-17-39-92(70)111(99(73)96)57-65-47-45-63(53-89(65)104)60-40-42-61(43-41-60)67-30-19-35-83-94(67)74-27-5-12-32-80(74)101(83)79-31-11-4-23-68(79)77-54-78-71-26-10-15-37-90(71)109(93(78)55-87(77)101)58-66-22-18-36-86(97(66)105)102(106,107)108/h1-55H,56-58H2.

What are the key properties of 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]?

12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole] has a molecular weight of 1625.34 g/mol, XLogP of 28.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12'-[[2-bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole] is sourced from PubChem (CID 162596141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).