12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole

C54H34N4 — CID 155240541

IUPAC12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C54H34N4/c1-3-18-37(19-4-1)54-55-46(41-27-15-20-35-16-7-9-23-39(35)41)34-47(56-54)44-31-30-36-17-8-10-24-40(36)52(44)58-48-28-13-11-25-42(48)43-32-33-50-51(53(43)58)45-26-12-14-29-49(45)57(50)38-21-5-2-6-22-38/h1-34H
InChIKeyLPKSHWVEVXAKEL-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole

12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 155240541) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID155240541
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C54H34N4/c1-3-18-37(19-4-1)54-55-46(41-27-15-20-35-16-7-9-23-39(35)41)34-47(56-54)44-31-30-36-17-8-10-24-40(36)52(44)58-48-28-13-11-25-42(48)43-32-33-50-51(53(43)58)45-26-12-14-29-49(45)57(50)38-21-5-2-6-22-38/h1-34H
InChIKeyLPKSHWVEVXAKEL-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
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-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
12-[4-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole;5-phenyl-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 160506725
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
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258

Frequently Asked Questions

What is the IUPAC name of 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole (CID 155240541) is 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4ccccc4c3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is LPKSHWVEVXAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-18-37(19-4-1)54-55-46(41-27-15-20-35-16-7-9-23-39(35)41)34-47(56-54)44-31-30-36-17-8-10-24-40(36)52(44)58-48-28-13-11-25-42(48)43-32-33-50-51(53(43)58)45-26-12-14-29-49(45)57(50)38-21-5-2-6-22-38/h1-34H.
What are the key properties of 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole?
12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155240541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).