2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole

C40H27N7 — CID 169077485

IUPAC2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole
SMILESc1ccc(-c2cn3ccnc3n2-c2cccc(-n3c4ccccc4c4ccc(-n5c(-c6ccccc6)cn6ccnc56)cc43)c2)cc1
InChIInChI=1S/C40H27N7/c1-3-10-28(11-4-1)37-26-43-22-20-41-39(43)46(37)31-15-9-14-30(24-31)45-35-17-8-7-16-33(35)34-19-18-32(25-36(34)45)47-38(29-12-5-2-6-13-29)27-44-23-21-42-40(44)47/h1-27H
InChIKeyISJFEBGEWTUDIF-UHFFFAOYSA-N
MW605.71 g/mol
LogP8.99
Rot. Bonds5

About 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole

2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole (PubChem CID 169077485) has the molecular formula C40H27N7 and a molecular weight of 605.71 g/mol. Its IUPAC name is 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole
PubChem CID169077485
Molecular FormulaC40H27N7
Molecular Weight605.71 g/mol
Exact Mass605.23
IUPAC Name2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole
SMILESc1ccc(-c2cn3ccnc3n2-c2cccc(-n3c4ccccc4c4ccc(-n5c(-c6ccccc6)cn6ccnc56)cc43)c2)cc1
InChIInChI=1S/C40H27N7/c1-3-10-28(11-4-1)37-26-43-22-20-41-39(43)46(37)31-15-9-14-30(24-31)45-35-17-8-7-16-33(35)34-19-18-32(25-36(34)45)47-38(29-12-5-2-6-13-29)27-44-23-21-42-40(44)47/h1-27H
InChIKeyISJFEBGEWTUDIF-UHFFFAOYSA-N
XLogP8.99
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
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triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
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CID 170659751
7,18-bis(9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651750
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
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2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole?
The IUPAC name of 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole (CID 169077485) is 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole.
What is the SMILES notation for 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole?
The canonical SMILES for 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole is c1ccc(-c2cn3ccnc3n2-c2cccc(-n3c4ccccc4c4ccc(-n5c(-c6ccccc6)cn6ccnc56)cc43)c2)cc1.
What is the InChIKey of 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole?
The InChIKey is ISJFEBGEWTUDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N7/c1-3-10-28(11-4-1)37-26-43-22-20-41-39(43)46(37)31-15-9-14-30(24-31)45-35-17-8-7-16-33(35)34-19-18-32(25-36(34)45)47-38(29-12-5-2-6-13-29)27-44-23-21-42-40(44)47/h1-27H.
What are the key properties of 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole?
2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole has a molecular weight of 605.71 g/mol, XLogP of 8.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylimidazo[1,2-a]imidazol-7-yl)-9-[3-(6-phenylimidazo[1,2-a]imidazol-7-yl)phenyl]carbazole is sourced from PubChem (CID 169077485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).