5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole

C58H37N5 — CID 134597921

IUPAC5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c4c3c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5/c1-5-19-38(20-6-1)47-37-48(60-58(59-47)39-21-7-2-8-22-39)44-34-36-53(57-54(44)45-28-14-17-31-50(45)62(57)41-25-11-4-12-26-41)63-51-32-18-15-29-46(51)55-52(63)35-33-43-42-27-13-16-30-49(42)61(56(43)55)40-23-9-3-10-24-40/h1-37H
InChIKeyFYVFJMWCNYPAGL-UHFFFAOYSA-N
MW803.97 g/mol
LogP14.77
Rot. Bonds6

About 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole

5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 134597921) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
PubChem CID134597921
Molecular FormulaC58H37N5
Molecular Weight803.97 g/mol
Exact Mass803.30
IUPAC Name5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c4c3c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N5/c1-5-19-38(20-6-1)47-37-48(60-58(59-47)39-21-7-2-8-22-39)44-34-36-53(57-54(44)45-28-14-17-31-50(45)62(57)41-25-11-4-12-26-41)63-51-32-18-15-29-46(51)55-52(63)35-33-43-42-27-13-16-30-49(42)61(56(43)55)40-23-9-3-10-24-40/h1-37H
InChIKeyFYVFJMWCNYPAGL-UHFFFAOYSA-N
XLogP14.77
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 157484056
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463086
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-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
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)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
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-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463026
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole (CID 134597921) is 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c4c3c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is FYVFJMWCNYPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c1-5-19-38(20-6-1)47-37-48(60-58(59-47)39-21-7-2-8-22-39)44-34-36-53(57-54(44)45-28-14-17-31-50(45)62(57)41-25-11-4-12-26-41)63-51-32-18-15-29-46(51)55-52(63)35-33-43-42-27-13-16-30-49(42)61(56(43)55)40-23-9-3-10-24-40/h1-37H.
What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole?
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 803.97 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134597921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).