12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole

C52H34N4 — CID 139496601

IUPAC12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)52-53-45(37-16-6-2-7-17-37)34-46(54-52)38-28-30-41(31-29-38)55-48-23-13-11-21-44(48)50-49(55)33-32-43-42-20-10-12-22-47(42)56(51(43)50)40-18-8-3-9-19-40/h1-34H
InChIKeyQJJHBVZDHWABLJ-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole

12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 139496601) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID139496601
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)52-53-45(37-16-6-2-7-17-37)34-46(54-52)38-28-30-41(31-29-38)55-48-23-13-11-21-44(48)50-49(55)33-32-43-42-20-10-12-22-47(42)56(51(43)50)40-18-8-3-9-19-40/h1-34H
InChIKeyQJJHBVZDHWABLJ-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-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;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 161114464
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-25-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 163838066
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
2-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 157419246
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole
CID 134598177
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole (CID 139496601) is 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4)n3)cc2)cc1.
What is the InChIKey of 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is QJJHBVZDHWABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-24-26-39(27-25-36)52-53-45(37-16-6-2-7-17-37)34-46(54-52)38-28-30-41(31-29-38)55-48-23-13-11-21-44(48)50-49(55)33-32-43-42-20-10-12-22-47(42)56(51(43)50)40-18-8-3-9-19-40/h1-34H.
What are the key properties of 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 139496601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).