3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole

C114H92Br2N4 — CID 58151172

IUPAC3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C114H92Br2N4/c1-109(2,3)71-33-49-83(50-34-71)119-105-57-41-77(65-93(105)95-67-79(115)43-59-107(95)119)113(97-25-17-13-21-85(97)86-22-14-18-26-98(86)113)75-39-55-103-91(63-75)92-64-76(40-56-104(92)118(103)82-47-31-70(32-48-82)69-29-45-81(46-30-69)117-101-53-37-73(111(7,8)9)61-89(101)90-62-74(112(10,11)12)38-54-102(90)117)114(99-27-19-15-23-87(99)88-24-16-20-28-100(88)114)78-42-58-106-94(66-78)96-68-80(116)44-60-108(96)120(106)84-51-35-72(36-52-84)110(4,5)6/h13-68H,1-12H3
InChIKeyFEDSAOYCVLKUGV-UHFFFAOYSA-N
MW1677.83 g/mol
LogP31.18
Rot. Bonds9

About 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole

3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 58151172) has the molecular formula C114H92Br2N4 and a molecular weight of 1677.83 g/mol. Its IUPAC name is 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID58151172
Molecular FormulaC114H92Br2N4
Molecular Weight1677.83 g/mol
Exact Mass1674.57
IUPAC Name3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C114H92Br2N4/c1-109(2,3)71-33-49-83(50-34-71)119-105-57-41-77(65-93(105)95-67-79(115)43-59-107(95)119)113(97-25-17-13-21-85(97)86-22-14-18-26-98(86)113)75-39-55-103-91(63-75)92-64-76(40-56-104(92)118(103)82-47-31-70(32-48-82)69-29-45-81(46-30-69)117-101-53-37-73(111(7,8)9)61-89(101)90-62-74(112(10,11)12)38-54-102(90)117)114(99-27-19-15-23-87(99)88-24-16-20-28-100(88)114)78-42-58-106-94(66-78)96-68-80(116)44-60-108(96)120(106)84-51-35-72(36-52-84)110(4,5)6/h13-68H,1-12H3
InChIKeyFEDSAOYCVLKUGV-UHFFFAOYSA-N
XLogP31.18
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001677.83
LogP ≤ 531.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
CID 131852839
9,9'-((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(9H-carbazole)
CID 20781599
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
3,3'-Bi-9H-carbazole, 6-bromo-9,9'-diphenyl-
CID 70661112
3,6-Bis(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 88863167
3,8,13-Tribromo-5,10,15-trihexyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole
CID 101771668
3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-YL)-9-(4-fluorophenyl)-9H-carbazole
CID 53416185
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]phenyl]fluoren-2-amine
CID 88591069
3-[9-(4-Bromophenyl)carbazol-3-yl]-9-(4-fluorophenyl)carbazole
CID 117881060
3,6-Dibromo-9-[2-[2-(3,6-dibromocarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 124173942

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 58151172) is 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole is CC(C)(C)c1ccc(-n2c3ccc(Br)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(Br)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is FEDSAOYCVLKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H92Br2N4/c1-109(2,3)71-33-49-83(50-34-71)119-105-57-41-77(65-93(105)95-67-79(115)43-59-107(95)119)113(97-25-17-13-21-85(97)86-22-14-18-26-98(86)113)75-39-55-103-91(63-75)92-64-76(40-56-104(92)118(103)82-47-31-70(32-48-82)69-29-45-81(46-30-69)117-101-53-37-73(111(7,8)9)61-89(101)90-62-74(112(10,11)12)38-54-102(90)117)114(99-27-19-15-23-87(99)88-24-16-20-28-100(88)114)78-42-58-106-94(66-78)96-68-80(116)44-60-108(96)120(106)84-51-35-72(36-52-84)110(4,5)6/h13-68H,1-12H3.
What are the key properties of 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole?
3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 1677.83 g/mol, XLogP of 31.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58151172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).