11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline

C38H27N — CID 139567371

IUPAC11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21
InChIInChI=1S/C38H27N/c1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-23H,1-2H3
InChIKeyPYAGXZMHTVQXRC-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.18
Rot. Bonds2

About 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline

11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline (PubChem CID 139567371) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline.

Molecular Properties

Compound Name11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
PubChem CID139567371
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC Name11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21
InChIInChI=1S/C38H27N/c1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-23H,1-2H3
InChIKeyPYAGXZMHTVQXRC-UHFFFAOYSA-N
XLogP10.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
11,11-dimethyl-10-[4-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567240
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372
11,11-dimethyl-10-[4-[4-(1,10-phenanthrolin-3-yl)naphthalen-1-yl]phenyl]indeno[1,2-b]quinoline
CID 139567205
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]indeno[1,2-b]quinoline;10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 159082297
11,11-dimethyl-10-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]indeno[1,2-b]quinoline
CID 139567439
11,11-dimethyl-10-[4-(7-pyrazin-2-yltriphenylen-2-yl)phenyl]indeno[1,2-b]quinoline
CID 139567278
11,11-dimethyl-10-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]indeno[1,2-b]quinoline
CID 139567389
11,11-dimethyl-10-[4-(4-pyridin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-pyridin-4-ylphenyl)phenyl]indeno[1,2-b]quinoline;11,11-dimethyl-10-[4-(4-quinolin-3-ylphenyl)phenyl]indeno[1,2-b]quinoline
CID 158121808
3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 139567233
10,10-dimethyl-12-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 160686488

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline?
The IUPAC name of 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline (CID 139567371) is 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline.
What is the SMILES notation for 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline?
The canonical SMILES for 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline is CC1(C)c2ccccc2-c2nc3ccccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c21.
What is the InChIKey of 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline?
The InChIKey is PYAGXZMHTVQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-38(2)33-17-9-7-15-30(33)37-36(38)35(31-16-8-10-18-34(31)39-37)25-21-19-24(20-22-25)32-23-26-11-3-4-12-27(26)28-13-5-6-14-29(28)32/h3-23H,1-2H3.
What are the key properties of 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline?
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline has a molecular weight of 497.64 g/mol, XLogP of 10.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline is sourced from PubChem (CID 139567371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).