12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

C61H32F8N4 — CID 146771699

IUPAC12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)c(F)c1F
InChIInChI=1S/C61H32F8N4/c62-54-50(55(63)57(65)58(66)56(54)64)33-31-48(72-42-23-11-7-19-36(42)38-27-29-46-51(59(38)72)40-21-9-13-25-44(40)70(46)34-15-3-1-4-16-34)53(61(67,68)69)49(32-33)73-43-24-12-8-20-37(43)39-28-30-47-52(60(39)73)41-22-10-14-26-45(41)71(47)35-17-5-2-6-18-35/h1-32H
InChIKeyRRTJVRGPIYCOFD-UHFFFAOYSA-N
MW972.94 g/mol
LogP17.46
Rot. Bonds5

About 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 146771699) has the molecular formula C61H32F8N4 and a molecular weight of 972.94 g/mol. Its IUPAC name is 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID146771699
Molecular FormulaC61H32F8N4
Molecular Weight972.94 g/mol
Exact Mass972.25
IUPAC Name12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)c(F)c1F
InChIInChI=1S/C61H32F8N4/c62-54-50(55(63)57(65)58(66)56(54)64)33-31-48(72-42-23-11-7-19-36(42)38-27-29-46-51(59(38)72)40-21-9-13-25-44(40)70(46)34-15-3-1-4-16-34)53(61(67,68)69)49(32-33)73-43-24-12-8-20-37(43)39-28-30-47-52(60(39)73)41-22-10-14-26-45(41)71(47)35-17-5-2-6-18-35/h1-32H
InChIKeyRRTJVRGPIYCOFD-UHFFFAOYSA-N
XLogP17.46
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.94
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-[3-tert-butyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139553137
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741

Frequently Asked Questions

What is the IUPAC name of 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 146771699) is 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2)c(F)c1F.
What is the InChIKey of 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is RRTJVRGPIYCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H32F8N4/c62-54-50(55(63)57(65)58(66)56(54)64)33-31-48(72-42-23-11-7-19-36(42)38-27-29-46-51(59(38)72)40-21-9-13-25-44(40)70(46)34-15-3-1-4-16-34)53(61(67,68)69)49(32-33)73-43-24-12-8-20-37(43)39-28-30-47-52(60(39)73)41-22-10-14-26-45(41)71(47)35-17-5-2-6-18-35/h1-32H.
What are the key properties of 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 972.94 g/mol, XLogP of 17.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146771699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).