3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole

C42H27N5 — CID 121260655

IUPAC3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole
SMILESc1ccc(-c2nc3ncccn3c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C42H27N5/c1-3-12-28(13-4-1)40-41(45-25-11-24-43-42(45)44-40)47-37-19-10-8-17-33(37)35-27-30(21-23-39(35)47)29-20-22-38-34(26-29)32-16-7-9-18-36(32)46(38)31-14-5-2-6-15-31/h1-27H
InChIKeyXVCYYQMCQBCMMZ-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.26
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole (PubChem CID 121260655) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole
PubChem CID121260655
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole
SMILESc1ccc(-c2nc3ncccn3c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C42H27N5/c1-3-12-28(13-4-1)40-41(45-25-11-24-43-42(45)44-40)47-37-19-10-8-17-33(37)35-27-30(21-23-39(35)47)29-20-22-38-34(26-29)32-16-7-9-18-36(32)46(38)31-14-5-2-6-15-31/h1-27H
InChIKeyXVCYYQMCQBCMMZ-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

3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
methane;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazole
CID 159626577
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole (CID 121260655) is 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole is c1ccc(-c2nc3ncccn3c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole?
The InChIKey is XVCYYQMCQBCMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-3-12-28(13-4-1)40-41(45-25-11-24-43-42(45)44-40)47-37-19-10-8-17-33(37)35-27-30(21-23-39(35)47)29-20-22-38-34(26-29)32-16-7-9-18-36(32)46(38)31-14-5-2-6-15-31/h1-27H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole 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 3-(9-phenylcarbazol-3-yl)-9-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)carbazole is sourced from PubChem (CID 121260655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).