14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C53H35N3O — CID 146334317

IUPAC14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc2c1oc1cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c12
InChIInChI=1S/C53H35N3O/c1-53(2)40-21-9-6-16-35(40)48-41(53)30-31-44-49(48)37-18-8-11-23-43(37)56(44)45-24-12-19-38-47-39(20-13-25-46(47)57-51(38)45)52-54-42-22-10-7-17-36(42)50(55-52)34-28-26-33(27-29-34)32-14-4-3-5-15-32/h3-31H,1-2H3
InChIKeyBIWVKNCXNRSJOA-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.93
Rot. Bonds4

About 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 146334317) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID146334317
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc2c1oc1cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c12
InChIInChI=1S/C53H35N3O/c1-53(2)40-21-9-6-16-35(40)48-41(53)30-31-44-49(48)37-18-8-11-23-43(37)56(44)45-24-12-19-38-47-39(20-13-25-46(47)57-51(38)45)52-54-42-22-10-7-17-36(42)50(55-52)34-28-26-33(27-29-34)32-14-4-3-5-15-32/h3-31H,1-2H3
InChIKeyBIWVKNCXNRSJOA-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 146337804
14,14-dimethyl-9-[1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155158781
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
15,15-dimethyl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-26-oxa-10-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 159873265
9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155160141
3-dibenzothiophen-2-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole;7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158443059
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
CID 146337919
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162481673
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 146334317) is 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc2c1oc1cccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccc4n3)c12.
What is the InChIKey of 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is BIWVKNCXNRSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-53(2)40-21-9-6-16-35(40)48-41(53)30-31-44-49(48)37-18-8-11-23-43(37)56(44)45-24-12-19-38-47-39(20-13-25-46(47)57-51(38)45)52-54-42-22-10-7-17-36(42)50(55-52)34-28-26-33(27-29-34)32-14-4-3-5-15-32/h3-31H,1-2H3.
What are the key properties of 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 729.88 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 146334317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).