5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole

C58H41N5 — CID 163544852

IUPAC5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESC1=CCCC(n2c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)ccc3c3c(C4C=C(c5ccccc5)N=C(c5ccccc5)N4)cccc32)=C1
InChIInChI=1S/C58H41N5/c1-5-18-38(19-6-1)48-37-49(60-58(59-48)39-20-7-2-8-21-39)45-28-17-31-52-55(45)47-33-32-42(36-54(47)61(52)40-22-9-3-10-23-40)62-51-30-16-14-27-46(51)56-53(62)35-34-44-43-26-13-15-29-50(43)63(57(44)56)41-24-11-4-12-25-41/h1-9,11-22,24-37,49H,10,23H2,(H,59,60)
InChIKeyFEEADYAIMAPGRN-UHFFFAOYSA-N
MW808.00 g/mol
LogP14.31
Rot. Bonds6

About 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole

5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 163544852) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID163544852
Molecular FormulaC58H41N5
Molecular Weight808.00 g/mol
Exact Mass807.34
IUPAC Name5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole
SMILESC1=CCCC(n2c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)ccc3c3c(C4C=C(c5ccccc5)N=C(c5ccccc5)N4)cccc32)=C1
InChIInChI=1S/C58H41N5/c1-5-18-38(19-6-1)48-37-49(60-58(59-48)39-20-7-2-8-21-39)45-28-17-31-52-55(45)47-33-32-42(36-54(47)61(52)40-22-9-3-10-23-40)62-51-30-16-14-27-46(51)56-53(62)35-34-44-43-26-13-15-29-50(43)63(57(44)56)41-24-11-4-12-25-41/h1-9,11-22,24-37,49H,10,23H2,(H,59,60)
InChIKeyFEEADYAIMAPGRN-UHFFFAOYSA-N
XLogP14.31
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.00
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
7-[4-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 137214899

Frequently Asked Questions

What is the IUPAC name of 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole (CID 163544852) is 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole is C1=CCCC(n2c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)ccc3c3c(C4C=C(c5ccccc5)N=C(c5ccccc5)N4)cccc32)=C1.
What is the InChIKey of 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is FEEADYAIMAPGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5/c1-5-18-38(19-6-1)48-37-49(60-58(59-48)39-20-7-2-8-21-39)45-28-17-31-52-55(45)47-33-32-42(36-54(47)61(52)40-22-9-3-10-23-40)62-51-30-16-14-27-46(51)56-53(62)35-34-44-43-26-13-15-29-50(43)63(57(44)56)41-24-11-4-12-25-41/h1-9,11-22,24-37,49H,10,23H2,(H,59,60).
What are the key properties of 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole?
5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 808.00 g/mol, XLogP of 14.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 163544852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).