ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene

C40H29N3 — CID 142477151

IUPACethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCC.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c4c4c6ccccc6c6cccc5n64)ccc32)cc1
InChIInChI=1S/C38H23N3.C2H6/c1-2-11-24(12-3-1)39-31-17-8-6-14-27(31)30-23-25(21-22-34(30)39)40-33-18-9-7-16-29(33)36-35-20-10-19-32-26-13-4-5-15-28(26)37(38(36)40)41(32)35;1-2/h1-23H;1-2H3
InChIKeyZOWVXVVXIKAOGV-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.90
Rot. Bonds2

About ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene

ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 142477151) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Nameethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene
PubChem CID142477151
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Nameethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene
SMILESCC.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c4c4c6ccccc6c6cccc5n64)ccc32)cc1
InChIInChI=1S/C38H23N3.C2H6/c1-2-11-24(12-3-1)39-31-17-8-6-14-27(31)30-23-25(21-22-34(30)39)40-33-18-9-7-16-29(33)36-35-20-10-19-32-26-13-4-5-15-28(26)37(38(36)40)41(32)35;1-2/h1-23H;1-2H3
InChIKeyZOWVXVVXIKAOGV-UHFFFAOYSA-N
XLogP10.90
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene with MolForge

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Related Compounds

5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
CID 163886824
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
33-carbazol-9-yl-1,13,20-triazadecacyclo[18.16.2.12,6.07,12.014,19.021,26.027,38.030,37.031,36.013,39]nonatriaconta-2,4,6(39),7,9,11,14,16,18,21,23,25,27(38),28,30(37),31(36),32,34-octadecaene
CID 162480548
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 167209952

Frequently Asked Questions

What is the IUPAC name of ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene (CID 142477151) is ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene is CC.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c4c4c6ccccc6c6cccc5n64)ccc32)cc1.
What is the InChIKey of ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is ZOWVXVVXIKAOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3.C2H6/c1-2-11-24(12-3-1)39-31-17-8-6-14-27(31)30-23-25(21-22-34(30)39)40-33-18-9-7-16-29(33)36-35-20-10-19-32-26-13-4-5-15-28(26)37(38(36)40)41(32)35;1-2/h1-23H;1-2H3.
What are the key properties of ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene?
ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 551.69 g/mol, XLogP of 10.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;20-(9-phenylcarbazol-3-yl)-20,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-1(21),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 142477151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).