5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

C68H43F3N4 — CID 161125617

IUPAC5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C68H43F3N4/c1-42-34-44(36-45(35-42)68(69,70)71)43-32-33-53(63(37-43)75-62-31-17-12-26-52(62)57-39-55-50-24-10-14-28-59(50)73(65(55)41-67(57)75)47-20-6-3-7-21-47)48-22-8-15-29-60(48)74-61-30-16-11-25-51(61)56-38-54-49-23-9-13-27-58(49)72(64(54)40-66(56)74)46-18-4-2-5-19-46/h2-41H,1H3
InChIKeyZGXUXNZLRPWNRR-UHFFFAOYSA-N
MW973.11 g/mol
LogP18.74
Rot. Bonds6

About 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 161125617) has the molecular formula C68H43F3N4 and a molecular weight of 973.11 g/mol. Its IUPAC name is 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID161125617
Molecular FormulaC68H43F3N4
Molecular Weight973.11 g/mol
Exact Mass972.34
IUPAC Name5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESCc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C68H43F3N4/c1-42-34-44(36-45(35-42)68(69,70)71)43-32-33-53(63(37-43)75-62-31-17-12-26-52(62)57-39-55-50-24-10-14-28-59(50)73(65(55)41-67(57)75)47-20-6-3-7-21-47)48-22-8-15-29-60(48)74-61-30-16-11-25-51(61)56-38-54-49-23-9-13-27-58(49)72(64(54)40-66(56)74)46-18-4-2-5-19-46/h2-41H,1H3
InChIKeyZGXUXNZLRPWNRR-UHFFFAOYSA-N
XLogP18.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.11
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5,12-Dimethylindolo[3,2-c]carbazole
CID 44581118
Tris(4-carbazoyl-9-ylphenyl)amine
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4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
1,3-Bis(N-carbazolyl)benzene
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CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
Bis(3,5-di(9H-carbazol-9-yl)phenyl)diphenylsilane
CID 59770816
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
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CID 101136487
2,3,5,6-Tetra-9H-carbazol-9-yl-1,4-benzenedicarbonitrile
CID 101136488

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 161125617) is 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is ZGXUXNZLRPWNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43F3N4/c1-42-34-44(36-45(35-42)68(69,70)71)43-32-33-53(63(37-43)75-62-31-17-12-26-52(62)57-39-55-50-24-10-14-28-59(50)73(65(55)41-67(57)75)47-20-6-3-7-21-47)48-22-8-15-29-60(48)74-61-30-16-11-25-51(61)56-38-54-49-23-9-13-27-58(49)72(64(54)40-66(56)74)46-18-4-2-5-19-46/h2-41H,1H3.
What are the key properties of 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 973.11 g/mol, XLogP of 18.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 161125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).