22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene

C51H30N4O — CID 140939552

IUPAC22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc6c7ccccc7c7oc8ccccc8c7n6c5c4)ccc32)cc1
InChIInChI=1S/C51H30N4O/c1-2-12-33(13-3-1)53-43-19-9-6-14-35(43)40-28-31(22-26-45(40)53)32-23-27-46-41(29-32)36-15-7-10-20-44(36)54(46)34-24-25-42-47(30-34)55-49-39-18-8-11-21-48(39)56-50(49)37-16-4-5-17-38(37)51(55)52-42/h1-30H
InChIKeyRSADYITUIRKJDC-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.40
Rot. Bonds3

About 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene

22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene (PubChem CID 140939552) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene.

Molecular Properties

Compound Name22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene
PubChem CID140939552
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc6c7ccccc7c7oc8ccccc8c7n6c5c4)ccc32)cc1
InChIInChI=1S/C51H30N4O/c1-2-12-33(13-3-1)53-43-19-9-6-14-35(43)40-28-31(22-26-45(40)53)32-23-27-46-41(29-32)36-15-7-10-20-44(36)54(46)34-24-25-42-47(30-34)55-49-39-18-8-11-21-48(39)56-50(49)37-16-4-5-17-38(37)51(55)52-42/h1-30H
InChIKeyRSADYITUIRKJDC-UHFFFAOYSA-N
XLogP13.40
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene with MolForge

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Related Compounds

5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,4,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128204
2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-18-oxa-9-thia-1,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11(19),12,14,16,20,22(27),23,25-dodecaene
CID 129128200
16-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646578
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene?
The IUPAC name of 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene (CID 140939552) is 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene.
What is the SMILES notation for 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene?
The canonical SMILES for 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc6c7ccccc7c7oc8ccccc8c7n6c5c4)ccc32)cc1.
What is the InChIKey of 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene?
The InChIKey is RSADYITUIRKJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-12-33(13-3-1)53-43-19-9-6-14-35(43)40-28-31(22-26-45(40)53)32-23-27-46-41(29-32)36-15-7-10-20-44(36)54(46)34-24-25-42-47(30-34)55-49-39-18-8-11-21-48(39)56-50(49)37-16-4-5-17-38(37)51(55)52-42/h1-30H.
What are the key properties of 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene?
22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene has a molecular weight of 714.83 g/mol, XLogP of 13.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19(24),20,22-undecaene is sourced from PubChem (CID 140939552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).