8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene

C45H33N3 — CID 145199062

IUPAC8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene
SMILESCC1(C)C2=C(C=CCC2)c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21
InChIInChI=1S/C45H33N3/c1-45(2)36-19-9-6-17-33(36)41-40-31(15-12-20-37(40)45)27-35-32-16-8-11-22-39(32)48(43(35)41)44-46-38-21-10-7-18-34(38)42(47-44)30-25-23-29(24-26-30)28-13-4-3-5-14-28/h3-8,10-18,20-27H,9,19H2,1-2H3
InChIKeyOHZCYGWGODHUSR-UHFFFAOYSA-N
MW615.78 g/mol
LogP11.61
Rot. Bonds3

About 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene

8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene (PubChem CID 145199062) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene.

Molecular Properties

Compound Name8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene
PubChem CID145199062
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene
SMILESCC1(C)C2=C(C=CCC2)c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21
InChIInChI=1S/C45H33N3/c1-45(2)36-19-9-6-17-33(36)41-40-31(15-12-20-37(40)45)27-35-32-16-8-11-22-39(32)48(43(35)41)44-46-38-21-10-7-18-34(38)42(47-44)30-25-23-29(24-26-30)28-13-4-3-5-14-28/h3-8,10-18,20-27H,9,19H2,1-2H3
InChIKeyOHZCYGWGODHUSR-UHFFFAOYSA-N
XLogP11.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene with MolForge

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Related Compounds

8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 162168761
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124
9-(7,7-dimethylbenzo[e]perimidin-2-yl)-13-phenyl-9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22,24,26,28-tetradecaene
CID 129299002
21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
CID 130259337
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
21-phenyl-17-(4-phenylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
CID 130258317
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-21-oxa-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635233

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene?
The IUPAC name of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene (CID 145199062) is 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene.
What is the SMILES notation for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene?
The canonical SMILES for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene is CC1(C)C2=C(C=CCC2)c2c3c1cccc3cc1c3ccccc3n(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c21.
What is the InChIKey of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene?
The InChIKey is OHZCYGWGODHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3/c1-45(2)36-19-9-6-17-33(36)41-40-31(15-12-20-37(40)45)27-35-32-16-8-11-22-39(32)48(43(35)41)44-46-38-21-10-7-18-34(38)42(47-44)30-25-23-29(24-26-30)28-13-4-3-5-14-28/h3-8,10-18,20-27H,9,19H2,1-2H3.
What are the key properties of 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene?
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene has a molecular weight of 615.78 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2(7),3,9,11,13,15(23),16,18,20-decaene is sourced from PubChem (CID 145199062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).