26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C44H26N4 — CID 169058381

IUPAC26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3cc4c5ccccc5n5c6ccccc6c6ccc7c(c4c(c3)n7-c3ccccc3)c65)nc3ccccc23)cc1
InChIInChI=1S/C44H26N4/c1-3-13-27(14-4-1)42-33-19-7-10-20-35(33)45-44(46-42)28-25-34-31-18-9-12-22-37(31)48-36-21-11-8-17-30(36)32-23-24-38-41(43(32)48)40(34)39(26-28)47(38)29-15-5-2-6-16-29/h1-26H
InChIKeyUZIISOHHVXFHKT-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.21
Rot. Bonds3

About 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 169058381) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID169058381
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3cc4c5ccccc5n5c6ccccc6c6ccc7c(c4c(c3)n7-c3ccccc3)c65)nc3ccccc23)cc1
InChIInChI=1S/C44H26N4/c1-3-13-27(14-4-1)42-33-19-7-10-20-35(33)45-44(46-42)28-25-34-31-18-9-12-22-37(31)48-36-21-11-8-17-30(36)32-23-24-38-41(43(32)48)40(34)39(26-28)47(38)29-15-5-2-6-16-29/h1-26H
InChIKeyUZIISOHHVXFHKT-UHFFFAOYSA-N
XLogP11.21
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
6-(3,5-diphenylphenyl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160793015
26-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570743
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
9,14-diphenyl-18-[4-(2-phenylquinazolin-4-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584393
9-phenyl-14-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122437
26-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570657
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 169058381) is 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3cc4c5ccccc5n5c6ccccc6c6ccc7c(c4c(c3)n7-c3ccccc3)c65)nc3ccccc23)cc1.
What is the InChIKey of 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is UZIISOHHVXFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-3-13-27(14-4-1)42-33-19-7-10-20-35(33)45-44(46-42)28-25-34-31-18-9-12-22-37(31)48-36-21-11-8-17-30(36)32-23-24-38-41(43(32)48)40(34)39(26-28)47(38)29-15-5-2-6-16-29/h1-26H.
What are the key properties of 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 610.72 g/mol, XLogP of 11.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-5-(4-phenylquinazolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 169058381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).