12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C48H30N4 — CID 138533154

IUPAC12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)47-38-20-9-11-21-41(38)49-48(50-47)33-23-26-35(27-24-33)51-42-22-12-10-19-37(42)39-29-45-40(30-44(39)51)46-36-18-8-7-13-31(36)25-28-43(46)52(45)34-16-5-2-6-17-34/h1-30H
InChIKeyAOMQIRWZNSYYLM-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 138533154) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID138533154
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)47-38-20-9-11-21-41(38)49-48(50-47)33-23-26-35(27-24-33)51-42-22-12-10-19-37(42)39-29-45-40(30-44(39)51)46-36-18-8-7-13-31(36)25-28-43(46)52(45)34-16-5-2-6-17-34/h1-30H
InChIKeyAOMQIRWZNSYYLM-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Related Compounds

12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
12-[4-[4-[4-(3-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]-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 129149629
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146374669
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
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
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 138533154) is 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4c5ccccc5ccc4n6-c4ccccc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is AOMQIRWZNSYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-32(15-4-1)47-38-20-9-11-21-41(38)49-48(50-47)33-23-26-35(27-24-33)51-42-22-12-10-19-37(42)39-29-45-40(30-44(39)51)46-36-18-8-7-13-31(36)25-28-43(46)52(45)34-16-5-2-6-17-34/h1-30H.
What are the key properties of 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 138533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).