5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene

C45H31N3 — CID 163982399

IUPAC5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)ccc2-n2c3ccc4ccccc4c3c3cccc1c32
InChIInChI=1S/C45H31N3/c1-45(2)36-19-11-18-34-41-33-17-10-9-14-29(33)21-25-40(41)48(43(34)36)39-24-22-32(27-37(39)45)44-46-38-23-20-31(28-12-5-3-6-13-28)26-35(38)42(47-44)30-15-7-4-8-16-30/h3-27H,1-2H3
InChIKeySZOOLFVUTHYOKA-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.52
Rot. Bonds3

About 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene

5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene (PubChem CID 163982399) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
PubChem CID163982399
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESCC1(C)c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)ccc2-n2c3ccc4ccccc4c3c3cccc1c32
InChIInChI=1S/C45H31N3/c1-45(2)36-19-11-18-34-41-33-17-10-9-14-29(33)21-25-40(41)48(43(34)36)39-24-22-32(27-37(39)45)44-46-38-23-20-31(28-12-5-3-6-13-28)26-35(38)42(47-44)30-15-7-4-8-16-30/h3-27H,1-2H3
InChIKeySZOOLFVUTHYOKA-UHFFFAOYSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-10,16-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[3-[4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 161050587
6-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-1-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327601
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene
CID 121442649
12-[4-[6-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361461
8,8-dimethyl-5-[3-(4-phenylquinazolin-2-yl)phenyl]-15-thia-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787510
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159731421
8,8-dimethyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-15-thia-1-azahexacyclo[11.9.1.02,7.09,23.014,22.016,21]tricosa-2(7),3,5,9,11,13(23),14(22),16,18,20-decaene
CID 168787504
1-(9,9-dimethylfluoren-3-yl)-3-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[f]quinazoline
CID 121401852

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The IUPAC name of 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene (CID 163982399) is 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene.
What is the SMILES notation for 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The canonical SMILES for 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene is CC1(C)c2cc(-c3nc(-c4ccccc4)c4cc(-c5ccccc5)ccc4n3)ccc2-n2c3ccc4ccccc4c3c3cccc1c32.
What is the InChIKey of 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The InChIKey is SZOOLFVUTHYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)36-19-11-18-34-41-33-17-10-9-14-29(33)21-25-40(41)48(43(34)36)39-24-22-32(27-37(39)45)44-46-38-23-20-31(28-12-5-3-6-13-28)26-35(38)42(47-44)30-15-7-4-8-16-30/h3-27H,1-2H3.
What are the key properties of 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene has a molecular weight of 613.76 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylquinazolin-2-yl)-8,8-dimethyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene is sourced from PubChem (CID 163982399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).