23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene

C53H36N2 — CID 118545752

IUPAC23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21
InChIInChI=1S/C53H36N2/c1-53(2)45-28-23-35(36-25-29-47-44(32-36)50-39-18-10-9-13-33(39)24-30-48(50)54(47)37-14-5-3-6-15-37)31-43(45)41-26-21-34-22-27-42-40-19-11-12-20-46(40)55(38-16-7-4-8-17-38)52(42)49(34)51(41)53/h3-32H,1-2H3
InChIKeyPTPAVVBGVDWYIN-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.16
Rot. Bonds3

About 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene

23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene (PubChem CID 118545752) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene.

Molecular Properties

Compound Name23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
PubChem CID118545752
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC Name23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21
InChIInChI=1S/C53H36N2/c1-53(2)45-28-23-35(36-25-29-47-44(32-36)50-39-18-10-9-13-33(39)24-30-48(50)54(47)37-14-5-3-6-15-37)31-43(45)41-26-21-34-22-27-42-40-19-11-12-20-46(40)55(38-16-7-4-8-17-38)52(42)49(34)51(41)53/h3-32H,1-2H3
InChIKeyPTPAVVBGVDWYIN-UHFFFAOYSA-N
XLogP14.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene with MolForge

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Related Compounds

12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole
CID 158192056
3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole
CID 155465840
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
3,3-dimethyl-7-phenyl-7-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.023,28.031,36]hexatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23,25,27,29,31,33,35-heptadecaene;3,3-dimethyl-7-phenyl-7-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.024,29.031,36]hexatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21(30),22,24,26,28,31,33,35-heptadecaene;7,7-dimethyl-3-phenyl-3-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.023,28.031,36]hexatriaconta-1(20),2(17),4,6(14),8,10,12,15,18,21,23,25,27,29,31,33,35-heptadecaene;7,7-dimethyl-3-phenyl-3-azanonacyclo[18.16.0.02,17.04,16.06,14.08,13.021,30.024,29.031,36]hexatriaconta-1(20),2(17),4,6(14),8,10,12,15,18,21(30),22,24,26,28,31,33,35-heptadecaene
CID 158951591
14,14-dimethyl-9-naphthalen-1-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-phenylindeno[1,2-a]carbazole;7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 161042554
14,14-dimethyl-9-naphthalen-1-yl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole;12,12-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-c]carbazole
CID 159771770

Frequently Asked Questions

What is the IUPAC name of 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene?
The IUPAC name of 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene (CID 118545752) is 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene.
What is the SMILES notation for 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene?
The canonical SMILES for 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene is CC1(C)c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2-c2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c3c21.
What is the InChIKey of 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene?
The InChIKey is PTPAVVBGVDWYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-53(2)45-28-23-35(36-25-29-47-44(32-36)50-39-18-10-9-13-33(39)24-30-48(50)54(47)37-14-5-3-6-15-37)31-43(45)41-26-21-34-22-27-42-40-19-11-12-20-46(40)55(38-16-7-4-8-17-38)52(42)49(34)51(41)53/h3-32H,1-2H3.
What are the key properties of 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene?
23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene has a molecular weight of 700.89 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,23-dimethyl-3-phenyl-19-(7-phenylbenzo[c]carbazol-10-yl)-3-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 118545752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).