7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole

C46H43N2+ — CID 123417892

IUPAC7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole
SMILESCCC1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)C(C)(C)c3ccccc3-5)cc2-c2cccc[n+]2C1(CC)CC
InChIInChI=1S/C46H43N2/c1-6-39-34-23-21-30(26-36(34)42-20-14-15-25-47(42)46(39,7-2)8-3)31-22-24-43-37(27-31)38-28-35-33-18-12-13-19-40(33)45(4,5)41(35)29-44(38)48(43)32-16-10-9-11-17-32/h9-29,39H,6-8H2,1-5H3/q+1
InChIKeyPUOIWSSIELMWJI-UHFFFAOYSA-N
MW623.86 g/mol
LogP11.73
Rot. Bonds5

About 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole

7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole (PubChem CID 123417892) has the molecular formula C46H43N2+ and a molecular weight of 623.86 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole
PubChem CID123417892
Molecular FormulaC46H43N2+
Molecular Weight623.86 g/mol
Exact Mass623.34
IUPAC Name7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole
SMILESCCC1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)C(C)(C)c3ccccc3-5)cc2-c2cccc[n+]2C1(CC)CC
InChIInChI=1S/C46H43N2/c1-6-39-34-23-21-30(26-36(34)42-20-14-15-25-47(42)46(39,7-2)8-3)31-22-24-43-37(27-31)38-28-35-33-18-12-13-19-40(33)45(4,5)41(35)29-44(38)48(43)32-16-10-9-11-17-32/h9-29,39H,6-8H2,1-5H3/q+1
InChIKeyPUOIWSSIELMWJI-UHFFFAOYSA-N
XLogP11.73
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.86
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
CID 118013993
2-[3-[3-[1-[(3-butyl-6,7-diethyl-7H-benzo[a]quinolizin-5-ium-6-yl)methyl]pyridin-1-ium-2-yl]-4-methylphenyl]phenyl]-5,7-diphenylindolo[2,3-b]carbazole
CID 123625816
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 122491504

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole (CID 123417892) is 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole is CCC1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)C(C)(C)c3ccccc3-5)cc2-c2cccc[n+]2C1(CC)CC.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole?
The InChIKey is PUOIWSSIELMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N2/c1-6-39-34-23-21-30(26-36(34)42-20-14-15-25-47(42)46(39,7-2)8-3)31-22-24-43-37(27-31)38-28-35-33-18-12-13-19-40(33)45(4,5)41(35)29-44(38)48(43)32-16-10-9-11-17-32/h9-29,39H,6-8H2,1-5H3/q+1.
What are the key properties of 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole?
7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole has a molecular weight of 623.86 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-(6,6,7-triethyl-7H-benzo[a]quinolizin-5-ium-10-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 123417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).