6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine

C43H43N3 — CID 167154608

IUPAC6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine
SMILESC1=CCCC(N2C(C3=CCCC=C3)NC2C2C=C(C3=CC(C4=CC(c5ccccc5)=CC(c5ccccc5)N4)CC=C3)C=CC2)=C1
InChIInChI=1S/C43H43N3/c1-5-15-31(16-6-1)38-29-40(32-17-7-2-8-18-32)44-41(30-38)36-23-13-21-34(27-36)35-22-14-24-37(28-35)43-45-42(33-19-9-3-10-20-33)46(43)39-25-11-4-12-26-39/h1-2,4-9,11,13-22,25,27-30,36-37,40,42-45H,3,10,12,23-24,26H2
InChIKeyBULNVDOTOIGVRL-UHFFFAOYSA-N
MW601.84 g/mol
LogP9.37
Rot. Bonds7

About 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine

6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine (PubChem CID 167154608) has the molecular formula C43H43N3 and a molecular weight of 601.84 g/mol. Its IUPAC name is 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine
PubChem CID167154608
Molecular FormulaC43H43N3
Molecular Weight601.84 g/mol
Exact Mass601.35
IUPAC Name6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine
SMILESC1=CCCC(N2C(C3=CCCC=C3)NC2C2C=C(C3=CC(C4=CC(c5ccccc5)=CC(c5ccccc5)N4)CC=C3)C=CC2)=C1
InChIInChI=1S/C43H43N3/c1-5-15-31(16-6-1)38-29-40(32-17-7-2-8-18-32)44-41(30-38)36-23-13-21-34(27-36)35-22-14-24-37(28-35)43-45-42(33-19-9-3-10-20-33)46(43)39-25-11-4-12-26-39/h1-2,4-9,11,13-22,25,27-30,36-37,40,42-45H,3,10,12,23-24,26H2
InChIKeyBULNVDOTOIGVRL-UHFFFAOYSA-N
XLogP9.37
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.84
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine with MolForge

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Related Compounds

(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
2,4-di(cyclohexa-1,3-dien-1-yl)-6-[5-[3-(4-cyclohex-2-en-1-yl-6-phenyl-1,3,5-triazinan-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazinane
CID 165020970
2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 166891285
15,23-di(cyclohexa-1,3-dien-1-yl)-3-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-1,3-dien-1-yl)-3,15,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,8,14(22),16,18,20-octaene
CID 118203652
4-[3-[6-(12b-methyl-4b,8a-dihydro-4aH-triphenylen-2-yl)-4-(2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3-diazetidin-1-yl)cyclohexa-1,3-dien-1-yl]cyclohex-2-en-1-yl]-6-cyclohexa-1,3-dien-1-yl-2-cyclohex-3-en-1-yl-1,2-dihydropyridine
CID 146646696
9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-[9-[4-(5-cyclohexa-2,4-dien-1-yl-3-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-yl]-3,4,4a,5,6,7,8,9a-octahydrocarbazol-2-yl]-1,2,4b,5,6,8a-hexahydrocarbazole
CID 167154564
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CID 70875590
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole
CID 144876573
3-[3-[6-(cyclohexa-1,5-dien-1-ylamino)-3-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohex-3-en-1-yl]-6-phenylcyclohexa-2,4-diene-1-thiol
CID 129054696
3-(5-cyclohexa-1,5-dien-1-yl-3-phenylcyclohexa-1,3-dien-1-yl)-6-(3,5-diphenylphenyl)-9,10-bis(ethenyl)phenanthrene
CID 143743279

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine?
The IUPAC name of 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine (CID 167154608) is 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine.
What is the SMILES notation for 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine?
The canonical SMILES for 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine is C1=CCCC(N2C(C3=CCCC=C3)NC2C2C=C(C3=CC(C4=CC(c5ccccc5)=CC(c5ccccc5)N4)CC=C3)C=CC2)=C1.
What is the InChIKey of 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine?
The InChIKey is BULNVDOTOIGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N3/c1-5-15-31(16-6-1)38-29-40(32-17-7-2-8-18-32)44-41(30-38)36-23-13-21-34(27-36)35-22-14-24-37(28-35)43-45-42(33-19-9-3-10-20-33)46(43)39-25-11-4-12-26-39/h1-2,4-9,11,13-22,25,27-30,36-37,40,42-45H,3,10,12,23-24,26H2.
What are the key properties of 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine?
6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine has a molecular weight of 601.84 g/mol, XLogP of 9.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(1-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-1,3-diazetidin-2-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-2,4-diphenyl-1,2-dihydropyridine is sourced from PubChem (CID 167154608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).