6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole

C37H25N3 — CID 123952268

IUPAC6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3ccn2-c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)31-17-8-7-16-29(31)36-30-22-24-40(34(30)21-20-32(36)37)35-19-9-18-33(39-35)26-11-10-23-38-25-26/h1-25H
InChIKeyAFHUHBGSXRZKNO-UHFFFAOYSA-N
MW511.63 g/mol
LogP8.45
Rot. Bonds4

About 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole

6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole (PubChem CID 123952268) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole.

Molecular Properties

Compound Name6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole
PubChem CID123952268
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3ccn2-c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C37H25N3/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)31-17-8-7-16-29(31)36-30-22-24-40(34(30)21-20-32(36)37)35-19-9-18-33(39-35)26-11-10-23-38-25-26/h1-25H
InChIKeyAFHUHBGSXRZKNO-UHFFFAOYSA-N
XLogP8.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-diphenyl-3-(4-phenyl-2-pyridinyl)indeno[1,2-e]indole
CID 123751573
3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole
CID 90130569
2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544
6-(6-pyridin-2-yl-2-pyridinyl)-3-(6-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-c]carbazole
CID 123972055
4-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
6,6-diphenyl-1-(6-phenyl-3-pyridinyl)indeno[2,1-g]indole
CID 123314968
5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
CID 164771442
9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126632479
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666
15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 142380452

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole?
The IUPAC name of 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole (CID 123952268) is 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole.
What is the SMILES notation for 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole?
The canonical SMILES for 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3ccn2-c2cccc(-c3cccnc3)n2)cc1.
What is the InChIKey of 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole?
The InChIKey is AFHUHBGSXRZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-3-12-27(13-4-1)37(28-14-5-2-6-15-28)31-17-8-7-16-29(31)36-30-22-24-40(34(30)21-20-32(36)37)35-19-9-18-33(39-35)26-11-10-23-38-25-26/h1-25H.
What are the key properties of 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole?
6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole has a molecular weight of 511.63 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)indeno[1,2-e]indole is sourced from PubChem (CID 123952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).