4-bromo-2'-[9-[4-(4-methylspiro[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]

C93H56BrN3 — CID 123303513

IUPAC4-bromo-2'-[9-[4-(4-methylspiro[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]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)C7(c9ccccc9-c9c(Br)cccc97)c7c-8ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c78)cccc65)cc4)c3c21
InChIInChI=1S/C93H56BrN3/c1-55-20-17-33-77-85(55)71-26-6-12-31-75(71)92(77)74-30-11-5-23-63(74)67-50-52-69-65-24-9-15-37-82(65)97(90(69)88(67)92)61-47-45-59(46-48-61)95-83-38-16-10-28-73(83)86-62(29-18-39-84(86)95)58-42-49-64-68-51-53-70-66-25-8-14-36-81(66)96(60-43-40-57(41-44-60)56-21-3-2-4-22-56)91(70)89(68)93(79(64)54-58)76-32-13-7-27-72(76)87-78(93)34-19-35-80(87)94/h2-54H,1H3
InChIKeyPLFPEENRUGORGP-UHFFFAOYSA-N
MW1295.40 g/mol
LogP24.07
Rot. Bonds5

About 4-bromo-2'-[9-[4-(4-methylspiro[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-methylspiro[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 123303513) has the molecular formula C93H56BrN3 and a molecular weight of 1295.40 g/mol. Its IUPAC name is 4-bromo-2'-[9-[4-(4-methylspiro[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-methylspiro[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 CID123303513
Molecular FormulaC93H56BrN3
Molecular Weight1295.40 g/mol
Exact Mass1293.37
IUPAC Name4-bromo-2'-[9-[4-(4-methylspiro[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]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)C7(c9ccccc9-c9c(Br)cccc97)c7c-8ccc8c9ccccc9n(-c9ccc(-c%10ccccc%10)cc9)c78)cccc65)cc4)c3c21
InChIInChI=1S/C93H56BrN3/c1-55-20-17-33-77-85(55)71-26-6-12-31-75(71)92(77)74-30-11-5-23-63(74)67-50-52-69-65-24-9-15-37-82(65)97(90(69)88(67)92)61-47-45-59(46-48-61)95-83-38-16-10-28-73(83)86-62(29-18-39-84(86)95)58-42-49-64-68-51-53-70-66-25-8-14-36-81(66)96(60-43-40-57(41-44-60)56-21-3-2-4-22-56)91(70)89(68)93(79(64)54-58)76-32-13-7-27-72(76)87-78(93)34-19-35-80(87)94/h2-54H,1H3
InChIKeyPLFPEENRUGORGP-UHFFFAOYSA-N
XLogP24.07
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.40
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2'-[9-[4-(4-methylspiro[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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Related Compounds

2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
9-[2',7,7'-Tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 22638507
3-[9-(2-Bromophenyl)fluoren-9-yl]-9-hexylcarbazole
CID 53330087
Tbcpf
CID 67331803
3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-YL)-9-(4-fluorophenyl)-9H-carbazole
CID 53416185
9-[[2-[9,9-bis(4-methylpentyl)fluoren-3-yl]-6-carbazol-9-yl-9-ethylfluoren-9-yl]methyl]-7-(3,5-diphenylphenyl)-N,N-diphenyl-9-(trifluoromethyl)fluoren-3-amine
CID 57626599
N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-2,6-bis(3-fluorophenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 57735411
N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 57735423
N-(9,9-dimethylfluoren-2-yl)-N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161305
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]phenyl]-9-phenylcarbazol-3-amine
CID 58161339
N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 58161410
N-[7-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 58161607

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2'-[9-[4-(4-methylspiro[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-methylspiro[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 123303513) is 4-bromo-2'-[9-[4-(4-methylspiro[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-methylspiro[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-methylspiro[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 Cc1cccc2c1-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-methylspiro[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 PLFPEENRUGORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H56BrN3/c1-55-20-17-33-77-85(55)71-26-6-12-31-75(71)92(77)74-30-11-5-23-63(74)67-50-52-69-65-24-9-15-37-82(65)97(90(69)88(67)92)61-47-45-59(46-48-61)95-83-38-16-10-28-73(83)86-62(29-18-39-84(86)95)58-42-49-64-68-51-53-70-66-25-8-14-36-81(66)96(60-43-40-57(41-44-60)56-21-3-2-4-22-56)91(70)89(68)93(79(64)54-58)76-32-13-7-27-72(76)87-78(93)34-19-35-80(87)94/h2-54H,1H3.
What are the key properties of 4-bromo-2'-[9-[4-(4-methylspiro[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-methylspiro[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 1295.40 g/mol, XLogP of 24.07, 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-methylspiro[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 123303513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).