9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole

C64H41N5 — CID 140903215

IUPAC9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H41N5/c1-5-19-42(20-6-1)53-39-47(33-35-48(53)56-41-55(43-21-7-2-8-22-43)65-64(66-56)44-23-9-3-10-24-44)69-60-37-34-46(68-57-30-16-13-27-49(57)50-28-14-17-31-58(50)68)40-54(60)51-36-38-61-62(63(51)69)52-29-15-18-32-59(52)67(61)45-25-11-4-12-26-45/h1-41H
InChIKeyUDHFOJMWFZUNNN-UHFFFAOYSA-N
MW880.07 g/mol
LogP16.44
Rot. Bonds7

About 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole

9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 140903215) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID140903215
Molecular FormulaC64H41N5
Molecular Weight880.07 g/mol
Exact Mass879.34
IUPAC Name9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H41N5/c1-5-19-42(20-6-1)53-39-47(33-35-48(53)56-41-55(43-21-7-2-8-22-43)65-64(66-56)44-23-9-3-10-24-44)69-60-37-34-46(68-57-30-16-13-27-49(57)50-28-14-17-31-58(50)68)40-54(60)51-36-38-61-62(63(51)69)52-29-15-18-32-59(52)67(61)45-25-11-4-12-26-45/h1-41H
InChIKeyUDHFOJMWFZUNNN-UHFFFAOYSA-N
XLogP16.44
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.07
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
CID 134598091
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
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
5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 155240746
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921
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-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
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598132

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole (CID 140903215) is 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is UDHFOJMWFZUNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-5-19-42(20-6-1)53-39-47(33-35-48(53)56-41-55(43-21-7-2-8-22-43)65-64(66-56)44-23-9-3-10-24-44)69-60-37-34-46(68-57-30-16-13-27-49(57)50-28-14-17-31-58(50)68)40-54(60)51-36-38-61-62(63(51)69)52-29-15-18-32-59(52)67(61)45-25-11-4-12-26-45/h1-41H.
What are the key properties of 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole?
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 880.07 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 140903215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).