11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole

C45H30N3- — CID 145085555

IUPAC11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole
SMILESc1ccc(C2=Nc3ccccc3[N-]C2n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H30N3/c1-4-16-30(17-5-1)43-44(47-40-26-14-13-25-39(40)46-43)48-41-27-15-11-23-34(41)36-28-38-35(29-42(36)48)33-22-10-12-24-37(33)45(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-29,44H/q-1
InChIKeyHGZIENKAALWUJW-UHFFFAOYSA-N
MW612.76 g/mol
LogP11.50
Rot. Bonds4

About 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole

11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole (PubChem CID 145085555) has the molecular formula C45H30N3- and a molecular weight of 612.76 g/mol. Its IUPAC name is 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole
PubChem CID145085555
Molecular FormulaC45H30N3-
Molecular Weight612.76 g/mol
Exact Mass612.24
IUPAC Name11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole
SMILESc1ccc(C2=Nc3ccccc3[N-]C2n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H30N3/c1-4-16-30(17-5-1)43-44(47-40-26-14-13-25-39(40)46-43)48-41-27-15-11-23-34(41)36-28-38-35(29-42(36)48)33-22-10-12-24-37(33)45(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-29,44H/q-1
InChIKeyHGZIENKAALWUJW-UHFFFAOYSA-N
XLogP11.50
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.76
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole
CID 123343063
22-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474785
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
11,11-diphenyl-5-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]indeno[1,2-b]carbazole
CID 138553243
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
9-[3-(2-bromo-9,9-diphenylfluoren-3-yl)phenyl]carbazole
CID 167526147

Frequently Asked Questions

What is the IUPAC name of 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole?
The IUPAC name of 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole (CID 145085555) is 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole is c1ccc(C2=Nc3ccccc3[N-]C2n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole?
The InChIKey is HGZIENKAALWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N3/c1-4-16-30(17-5-1)43-44(47-40-26-14-13-25-39(40)46-43)48-41-27-15-11-23-34(41)36-28-38-35(29-42(36)48)33-22-10-12-24-37(33)45(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-29,44H/q-1.
What are the key properties of 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole?
11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole has a molecular weight of 612.76 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diphenyl-5-(3-phenyl-2H-quinoxalin-1-id-2-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 145085555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).