16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

C43H30N4 — CID 145276785

IUPAC16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESCC1C=CC(c2nc(-n3c4ccccc4c4cc5c(ccc6c7ccccc7n(-c7ccccc7)c56)cc43)nc3ccccc23)=CC1
InChIInChI=1S/C43H30N4/c1-27-19-21-28(22-20-27)41-34-15-5-8-16-37(34)44-43(45-41)47-39-18-10-7-14-32(39)36-26-35-29(25-40(36)47)23-24-33-31-13-6-9-17-38(31)46(42(33)35)30-11-3-2-4-12-30/h2-19,21-27H,20H2,1H3
InChIKeyBVERLYVZMKODKL-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.96
Rot. Bonds3

About 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene

16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (PubChem CID 145276785) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
PubChem CID145276785
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
SMILESCC1C=CC(c2nc(-n3c4ccccc4c4cc5c(ccc6c7ccccc7n(-c7ccccc7)c56)cc43)nc3ccccc23)=CC1
InChIInChI=1S/C43H30N4/c1-27-19-21-28(22-20-27)41-34-15-5-8-16-37(34)44-43(45-41)47-39-18-10-7-14-32(39)36-26-35-29(25-40(36)47)23-24-33-31-13-6-9-17-38(31)46(42(33)35)30-11-3-2-4-12-30/h2-19,21-27H,20H2,1H3
InChIKeyBVERLYVZMKODKL-UHFFFAOYSA-N
XLogP10.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

3-phenyl-16-(4-phenylquinazolin-2-yl)-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 122465729
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-(3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-16-yl)-1,3-benzothiazole
CID 122465341
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
5-[11-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole
CID 134353213
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene
CID 164589230
14-methyl-5-(4-methylcyclohexa-1,5-dien-1-yl)-18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,15,19,21,23-decaene
CID 144705256
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
2-(16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122465359

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene (CID 145276785) is 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is CC1C=CC(c2nc(-n3c4ccccc4c4cc5c(ccc6c7ccccc7n(-c7ccccc7)c56)cc43)nc3ccccc23)=CC1.
What is the InChIKey of 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
The InChIKey is BVERLYVZMKODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-27-19-21-28(22-20-27)41-34-15-5-8-16-37(34)44-43(45-41)47-39-18-10-7-14-32(39)36-26-35-29(25-40(36)47)23-24-33-31-13-6-9-17-38(31)46(42(33)35)30-11-3-2-4-12-30/h2-19,21-27H,20H2,1H3.
What are the key properties of 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene?
16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene has a molecular weight of 602.74 g/mol, XLogP of 10.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4-methylcyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 145276785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).