10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole

C42H27N5 — CID 139407585

IUPAC10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7ccccc7cc56)ccc43)n2)cc1
InChIInChI=1S/C42H27N5/c1-3-13-28(14-4-1)34-27-35(29-15-5-2-6-16-29)44-42(43-34)47-37-20-10-8-18-32(37)33-26-31(23-24-38(33)47)45-39-21-11-12-22-40(39)46-36-19-9-7-17-30(36)25-41(45)46/h1-27H
InChIKeyYJXIGOMGCRCKDV-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.26
Rot. Bonds4

About 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole

10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole (PubChem CID 139407585) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
PubChem CID139407585
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7ccccc7cc56)ccc43)n2)cc1
InChIInChI=1S/C42H27N5/c1-3-13-28(14-4-1)34-27-35(29-15-5-2-6-16-29)44-42(43-34)47-37-20-10-8-18-32(37)33-26-31(23-24-38(33)47)45-39-21-11-12-22-40(39)46-36-19-9-7-17-30(36)25-41(45)46/h1-27H
InChIKeyYJXIGOMGCRCKDV-UHFFFAOYSA-N
XLogP10.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 139407569
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 88559257
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88559249
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-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 140937291
9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
CID 146375718
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
CID 162054699
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517558

Frequently Asked Questions

What is the IUPAC name of 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The IUPAC name of 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole (CID 139407585) is 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole.
What is the SMILES notation for 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The canonical SMILES for 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7ccccc7cc56)ccc43)n2)cc1.
What is the InChIKey of 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The InChIKey is YJXIGOMGCRCKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-3-13-28(14-4-1)34-27-35(29-15-5-2-6-16-29)44-42(43-34)47-37-20-10-8-18-32(37)33-26-31(23-24-38(33)47)45-39-21-11-12-22-40(39)46-36-19-9-7-17-30(36)25-41(45)46/h1-27H.
What are the key properties of 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole has a molecular weight of 601.71 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).