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

C72H48F6N4 — CID 139553137

IUPAC12-[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
SMILESCC(C)(C)c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C72H48F6N4/c1-70(2,3)67-63(43-20-18-22-45(40-43)71(73,74)75)61(81-55-32-14-10-28-49(55)51-36-38-59-65(68(51)81)53-30-12-16-34-57(53)79(59)47-24-6-4-7-25-47)42-62(64(67)44-21-19-23-46(41-44)72(76,77)78)82-56-33-15-11-29-50(56)52-37-39-60-66(69(52)82)54-31-13-17-35-58(54)80(60)48-26-8-5-9-27-48/h4-42H,1-3H3
InChIKeySHXFKEAVBZQEGW-UHFFFAOYSA-N
MW1083.19 g/mol
LogP20.74
Rot. Bonds6

About 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

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 (PubChem CID 139553137) has the molecular formula C72H48F6N4 and a molecular weight of 1083.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID139553137
Molecular FormulaC72H48F6N4
Molecular Weight1083.19 g/mol
Exact Mass1082.38
IUPAC Name12-[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
SMILESCC(C)(C)c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C72H48F6N4/c1-70(2,3)67-63(43-20-18-22-45(40-43)71(73,74)75)61(81-55-32-14-10-28-49(55)51-36-38-59-65(68(51)81)53-30-12-16-34-57(53)79(59)47-24-6-4-7-25-47)42-62(64(67)44-21-19-23-46(41-44)72(76,77)78)82-56-33-15-11-29-50(56)52-37-39-60-66(69(52)82)54-31-13-17-35-58(54)80(60)48-26-8-5-9-27-48/h4-42H,1-3H3
InChIKeySHXFKEAVBZQEGW-UHFFFAOYSA-N
XLogP20.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.19
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
12-[4,6-bis(3-tritylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 168842681
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
12-phenyl-5-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]indolo[3,2-c]carbazole
CID 146522550
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107992
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is SHXFKEAVBZQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48F6N4/c1-70(2,3)67-63(43-20-18-22-45(40-43)71(73,74)75)61(81-55-32-14-10-28-49(55)51-36-38-59-65(68(51)81)53-30-12-16-34-57(53)79(59)47-24-6-4-7-25-47)42-62(64(67)44-21-19-23-46(41-44)72(76,77)78)82-56-33-15-11-29-50(56)52-37-39-60-66(69(52)82)54-31-13-17-35-58(54)80(60)48-26-8-5-9-27-48/h4-42H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1083.19 g/mol, XLogP of 20.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139553137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).