2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline

C37H27N — CID 88885291

IUPAC2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline
SMILESC1=C(c2c3c(c(-c4ccc5ccccc5n4)c4ccccc24)=CCCC=3)c2ccc3ccccc3c2CC1
InChIInChI=1S/C37H27N/c1-3-12-26-24(10-1)20-22-28-27(26)17-9-18-29(28)36-30-13-4-6-15-32(30)37(33-16-7-5-14-31(33)36)35-23-21-25-11-2-8-19-34(25)38-35/h1-4,6,8,10-16,18-23H,5,7,9,17H2
InChIKeyFMHLRQGKDDKDQE-UHFFFAOYSA-N
MW485.63 g/mol
LogP7.94
Rot. Bonds2

About 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline

2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline (PubChem CID 88885291) has the molecular formula C37H27N and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline.

Molecular Properties

Compound Name2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline
PubChem CID88885291
Molecular FormulaC37H27N
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC Name2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline
SMILESC1=C(c2c3c(c(-c4ccc5ccccc5n4)c4ccccc24)=CCCC=3)c2ccc3ccccc3c2CC1
InChIInChI=1S/C37H27N/c1-3-12-26-24(10-1)20-22-28-27(26)17-9-18-29(28)36-30-13-4-6-15-32(30)37(33-16-7-5-14-31(33)36)35-23-21-25-11-2-8-19-34(25)38-35/h1-4,6,8,10-16,18-23H,5,7,9,17H2
InChIKeyFMHLRQGKDDKDQE-UHFFFAOYSA-N
XLogP7.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-3,4-dihydrophenanthrene
CID 11127443
2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline
CID 142046199
5,10-di(quinolin-2-yl)benzo[g]isoquinoline
CID 59183077
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
CID 89218094
2-cyclohexa-1,5-dien-1-ylquinoline
CID 135198971
methyl 3,4-dihydrophenanthrene-1-carboxylate
CID 601807
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
CID 88547922
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline
CID 129255162
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
CID 58489360
4-(4-quinolin-2-ylphenyl)naphthalen-1-amine
CID 89137455

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline?
The IUPAC name of 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline (CID 88885291) is 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline.
What is the SMILES notation for 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline?
The canonical SMILES for 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline is C1=C(c2c3c(c(-c4ccc5ccccc5n4)c4ccccc24)=CCCC=3)c2ccc3ccccc3c2CC1.
What is the InChIKey of 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline?
The InChIKey is FMHLRQGKDDKDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N/c1-3-12-26-24(10-1)20-22-28-27(26)17-9-18-29(28)36-30-13-4-6-15-32(30)37(33-16-7-5-14-31(33)36)35-23-21-25-11-2-8-19-34(25)38-35/h1-4,6,8,10-16,18-23H,5,7,9,17H2.
What are the key properties of 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline?
2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline has a molecular weight of 485.63 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline is sourced from PubChem (CID 88885291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).