16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene

C52H31N5 — CID 142477156

IUPAC16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c3c3c5ccccc5c5cccc4n53)nc3ccccc23)cc1
InChIInChI=1S/C52H31N5/c1-3-14-32(15-4-1)49-39-21-9-11-22-42(39)53-52(54-49)57-46-29-27-34(31-41(46)48-47-25-13-24-44-36-18-7-8-20-38(36)50(51(48)57)56(44)47)33-26-28-45-40(30-33)37-19-10-12-23-43(37)55(45)35-16-5-2-6-17-35/h1-31H
InChIKeyQOWWSJRPPDUFIG-UHFFFAOYSA-N
MW725.86 g/mol
LogP13.15
Rot. Bonds4

About 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene

16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene (PubChem CID 142477156) has the molecular formula C52H31N5 and a molecular weight of 725.86 g/mol. Its IUPAC name is 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene.

Molecular Properties

Compound Name16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene
PubChem CID142477156
Molecular FormulaC52H31N5
Molecular Weight725.86 g/mol
Exact Mass725.26
IUPAC Name16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c3c3c5ccccc5c5cccc4n53)nc3ccccc23)cc1
InChIInChI=1S/C52H31N5/c1-3-14-32(15-4-1)49-39-21-9-11-22-42(39)53-52(54-49)57-46-29-27-34(31-41(46)48-47-25-13-24-44-36-18-7-8-20-38(36)50(51(48)57)56(44)47)33-26-28-45-40(30-33)37-19-10-12-23-43(37)55(45)35-16-5-2-6-17-35/h1-31H
InChIKeyQOWWSJRPPDUFIG-UHFFFAOYSA-N
XLogP13.15
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.86
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
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
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
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
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
26-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 140947079

Frequently Asked Questions

What is the IUPAC name of 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene?
The IUPAC name of 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene (CID 142477156) is 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene.
What is the SMILES notation for 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene?
The canonical SMILES for 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene is c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c3c3c5ccccc5c5cccc4n53)nc3ccccc23)cc1.
What is the InChIKey of 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene?
The InChIKey is QOWWSJRPPDUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5/c1-3-14-32(15-4-1)49-39-21-9-11-22-42(39)53-52(54-49)57-46-29-27-34(31-41(46)48-47-25-13-24-44-36-18-7-8-20-38(36)50(51(48)57)56(44)47)33-26-28-45-40(30-33)37-19-10-12-23-43(37)55(45)35-16-5-2-6-17-35/h1-31H.
What are the key properties of 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene?
16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene has a molecular weight of 725.86 g/mol, XLogP of 13.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(9-phenylcarbazol-3-yl)-20-(4-phenylquinazolin-2-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene is sourced from PubChem (CID 142477156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).