2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline

C51H34N2O2 — CID 138574032

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c3ccccc3n2)=CCC1
InChIInChI=1S/C51H34N2O2/c1-4-15-35(16-5-1)50-52-44-25-13-11-22-40(44)48(53-50)34-29-27-33(28-30-34)38-23-14-26-45-49(38)55-46-31-41-39-21-10-12-24-42(39)51(36-17-6-2-7-18-36,37-19-8-3-9-20-37)43(41)32-47(46)54-45/h2-4,6-32H,1,5H2
InChIKeyYUNZBYFOCJHKCE-UHFFFAOYSA-N
MW706.84 g/mol
LogP12.96
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline

2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline (PubChem CID 138574032) has the molecular formula C51H34N2O2 and a molecular weight of 706.84 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline
PubChem CID138574032
Molecular FormulaC51H34N2O2
Molecular Weight706.84 g/mol
Exact Mass706.26
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c3ccccc3n2)=CCC1
InChIInChI=1S/C51H34N2O2/c1-4-15-35(16-5-1)50-52-44-25-13-11-22-40(44)48(53-50)34-29-27-33(28-30-34)38-23-14-26-45-49(38)55-46-31-41-39-21-10-12-24-42(39)51(36-17-6-2-7-18-36,37-19-8-3-9-20-37)43(41)32-47(46)54-45/h2-4,6-32H,1,5H2
InChIKeyYUNZBYFOCJHKCE-UHFFFAOYSA-N
XLogP12.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.84
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline with MolForge

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Related Compounds

2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)-4-(4-phenylphenyl)quinazoline
CID 138573837
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573675
2-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenylquinoline
CID 138573853
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573410
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
CID 138573721
2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
CID 142415982
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 163599586
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-cyclohexa-1,5-dien-1-yl-4-[11-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-6-phenylpyrimidine
CID 145452827
4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline (CID 138574032) is 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline is C1=CC(c2nc(-c3ccc(-c4cccc5c4Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)c3ccccc3n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline?
The InChIKey is YUNZBYFOCJHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O2/c1-4-15-35(16-5-1)50-52-44-25-13-11-22-40(44)48(53-50)34-29-27-33(28-30-34)38-23-14-26-45-49(38)55-46-31-41-39-21-10-12-24-42(39)51(36-17-6-2-7-18-36,37-19-8-3-9-20-37)43(41)32-47(46)54-45/h2-4,6-32H,1,5H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline?
2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline has a molecular weight of 706.84 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]quinazoline is sourced from PubChem (CID 138574032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).