5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole

C34H24N2 — CID 118488507

IUPAC5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(ccc3cccnc32)c1
InChIInChI=1S/C34H24N2/c1-34(2)29-11-5-3-9-25(29)27-20-32-28(19-30(27)34)26-10-4-6-12-31(26)36(32)23-15-16-24-22(18-23)14-13-21-8-7-17-35-33(21)24/h3-20H,1-2H3
InChIKeyLUHPLHWBADKBFT-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.79
Rot. Bonds1

About 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole

5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 118488507) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID118488507
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(ccc3cccnc32)c1
InChIInChI=1S/C34H24N2/c1-34(2)29-11-5-3-9-25(29)27-20-32-28(19-30(27)34)26-10-4-6-12-31(26)36(32)23-15-16-24-22(18-23)14-13-21-8-7-17-35-33(21)24/h3-20H,1-2H3
InChIKeyLUHPLHWBADKBFT-UHFFFAOYSA-N
XLogP8.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
5-(6-benzo[h]quinolin-10-yl-9-phenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118003381
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
CID 134551753
CID 134551753
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole
CID 118502163
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118003236
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzoselenolo[2,3-b]pyrazine
CID 140853004
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114

Frequently Asked Questions

What is the IUPAC name of 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole (CID 118488507) is 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(ccc3cccnc32)c1.
What is the InChIKey of 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is LUHPLHWBADKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-34(2)29-11-5-3-9-25(29)27-20-32-28(19-30(27)34)26-10-4-6-12-31(26)36(32)23-15-16-24-22(18-23)14-13-21-8-7-17-35-33(21)24/h3-20H,1-2H3.
What are the key properties of 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole?
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 460.58 g/mol, XLogP of 8.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 118488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).