9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline

C44H31N — CID 89342054

IUPAC9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5c(ccc6cccnc65)c(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C44H31N/c1-44(2)38-18-10-9-17-33(38)34-22-20-32(27-39(34)44)31-21-23-35-37(26-31)40(28-12-5-3-6-13-28)36-24-19-30-16-11-25-45-43(30)42(36)41(35)29-14-7-4-8-15-29/h3-27H,1-2H3
InChIKeyWRIMMTVROHVEHA-UHFFFAOYSA-N
MW573.74 g/mol
LogP11.85
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline

9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline (PubChem CID 89342054) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
PubChem CID89342054
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5c(ccc6cccnc65)c(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C44H31N/c1-44(2)38-18-10-9-17-33(38)34-22-20-32(27-39(34)44)31-21-23-35-37(26-31)40(28-12-5-3-6-13-28)36-24-19-30-16-11-25-45-43(30)42(36)41(35)29-14-7-4-8-15-29/h3-27H,1-2H3
InChIKeyWRIMMTVROHVEHA-UHFFFAOYSA-N
XLogP11.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-1,10-phenanthroline;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]pyridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]quinoline
CID 159960138
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
7,12-ditert-butyl-9-(9,9-dimethyl-7-phenylfluoren-2-yl)naphtho[2,3-h]quinoline
CID 89341996
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline (CID 89342054) is 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5c(ccc6cccnc65)c(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The InChIKey is WRIMMTVROHVEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-44(2)38-18-10-9-17-33(38)34-22-20-32(27-39(34)44)31-21-23-35-37(26-31)40(28-12-5-3-6-13-28)36-24-19-30-16-11-25-45-43(30)42(36)41(35)29-14-7-4-8-15-29/h3-27H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline?
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline has a molecular weight of 573.74 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline is sourced from PubChem (CID 89342054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).