5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine

C43H33N — CID 123581383

IUPAC5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine
SMILESCC1(Cc2ccc(-c3ccc4ccc5c6c(ccc3c46)CCC=5c3ccccc3)nc2)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C43H33N/c1-43(26-32-11-5-6-12-33(32)35-13-7-8-14-39(35)43)25-28-15-24-40(44-27-28)36-21-17-31-18-22-37-34(29-9-3-2-4-10-29)20-16-30-19-23-38(36)42(31)41(30)37/h2-15,17-19,21-24,27H,16,20,25-26H2,1H3
InChIKeyYWTAWSCMMIQTCT-UHFFFAOYSA-N
MW563.74 g/mol
LogP9.64
Rot. Bonds4

About 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine

5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine (PubChem CID 123581383) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine.

Molecular Properties

Compound Name5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine
PubChem CID123581383
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine
SMILESCC1(Cc2ccc(-c3ccc4ccc5c6c(ccc3c46)CCC=5c3ccccc3)nc2)Cc2ccccc2-c2ccccc21
InChIInChI=1S/C43H33N/c1-43(26-32-11-5-6-12-33(32)35-13-7-8-14-39(35)43)25-28-15-24-40(44-27-28)36-21-17-31-18-22-37-34(29-9-3-2-4-10-29)20-16-30-19-23-38(36)42(31)41(30)37/h2-15,17-19,21-24,27H,16,20,25-26H2,1H3
InChIKeyYWTAWSCMMIQTCT-UHFFFAOYSA-N
XLogP9.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(3,5-diphenylphenyl)-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
CID 123460391
8-anthracen-9-yl-3-[4-(3,5-diphenylphenyl)phenyl]-1,2-dihydropyrene
CID 123379896
1-[4-(1,2-dihydroacenaphthylen-5-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)pyrene;1-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrene;1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-2-yl-6-phenanthren-9-ylpyrene;1-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrene;1-(4-naphthalen-1-ylphenyl)-8-[2-(4-phenylphenyl)phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrene
CID 158804979
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
5-[(1-methylcyclopentyl)methyl]-2-phenylpyridine
CID 140585204
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
10-(1,2-dihydroacenaphthylen-5-yl)-9-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;1-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]isoquinoline;2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]pyridine
CID 157380076
2-(4,5-dihydropyren-1-yl)-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 163653713
2-chrysen-3-yl-4-phenyl-6-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazine
CID 170259799
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383

Frequently Asked Questions

What is the IUPAC name of 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine?
The IUPAC name of 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine (CID 123581383) is 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine.
What is the SMILES notation for 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine?
The canonical SMILES for 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine is CC1(Cc2ccc(-c3ccc4ccc5c6c(ccc3c46)CCC=5c3ccccc3)nc2)Cc2ccccc2-c2ccccc21.
What is the InChIKey of 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine?
The InChIKey is YWTAWSCMMIQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(26-32-11-5-6-12-33(32)35-13-7-8-14-39(35)43)25-28-15-24-40(44-27-28)36-21-17-31-18-22-37-34(29-9-3-2-4-10-29)20-16-30-19-23-38(36)42(31)41(30)37/h2-15,17-19,21-24,27H,16,20,25-26H2,1H3.
What are the key properties of 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine?
5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine has a molecular weight of 563.74 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9-methyl-10H-phenanthren-9-yl)methyl]-2-(6-phenyl-7,8-dihydropyren-1-yl)pyridine is sourced from PubChem (CID 123581383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).