16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene

C34H30N2 — CID 129310561

IUPAC16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene
SMILESCC1(C)C2=C(C=CCC2)c2ccccc2-n2c1c(-c1ccc(C3C=CC=CN3)cc1)c1ccccc12
InChIInChI=1S/C34H30N2/c1-34(2)28-14-6-3-11-25(28)26-12-4-7-16-30(26)36-31-17-8-5-13-27(31)32(33(34)36)24-20-18-23(19-21-24)29-15-9-10-22-35-29/h3-5,7-13,15-22,29,35H,6,14H2,1-2H3
InChIKeyBNRBBGKCMQOGNA-UHFFFAOYSA-N
MW466.63 g/mol
LogP8.41
Rot. Bonds2

About 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene

16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene (PubChem CID 129310561) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene.

Molecular Properties

Compound Name16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene
PubChem CID129310561
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene
SMILESCC1(C)C2=C(C=CCC2)c2ccccc2-n2c1c(-c1ccc(C3C=CC=CN3)cc1)c1ccccc12
InChIInChI=1S/C34H30N2/c1-34(2)28-14-6-3-11-25(28)26-12-4-7-16-30(26)36-31-17-8-5-13-27(31)32(33(34)36)24-20-18-23(19-21-24)29-15-9-10-22-35-29/h3-5,7-13,15-22,29,35H,6,14H2,1-2H3
InChIKeyBNRBBGKCMQOGNA-UHFFFAOYSA-N
XLogP8.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene with MolForge

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Related Compounds

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7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
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N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene?
The IUPAC name of 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene (CID 129310561) is 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene.
What is the SMILES notation for 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene?
The canonical SMILES for 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene is CC1(C)C2=C(C=CCC2)c2ccccc2-n2c1c(-c1ccc(C3C=CC=CN3)cc1)c1ccccc12.
What is the InChIKey of 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene?
The InChIKey is BNRBBGKCMQOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-34(2)28-14-6-3-11-25(28)26-12-4-7-16-30(26)36-31-17-8-5-13-27(31)32(33(34)36)24-20-18-23(19-21-24)29-15-9-10-22-35-29/h3-5,7-13,15-22,29,35H,6,14H2,1-2H3.
What are the key properties of 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene?
16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene has a molecular weight of 466.63 g/mol, XLogP of 8.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene is sourced from PubChem (CID 129310561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).