17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene

C51H36N2 — CID 134428385

IUPAC17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3
InChIInChI=1S/C51H36N2/c1-51(2)45-24-12-15-27-49(45)52(33-16-4-3-5-17-33)50-32-44-42-30-34(53-47-25-13-10-22-40(47)41-23-11-14-26-48(41)53)28-29-39(42)37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(44)31-46(50)51/h3-32H,1-2H3/b36-35-,39-37-,43-38-,44-42-
InChIKeyAYBGSXJWZJTPQM-CYZJIRSCSA-N
MW676.86 g/mol
LogP13.87
Rot. Bonds2

About 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene

17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene (PubChem CID 134428385) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene.

Molecular Properties

Compound Name17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
PubChem CID134428385
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3
InChIInChI=1S/C51H36N2/c1-51(2)45-24-12-15-27-49(45)52(33-16-4-3-5-17-33)50-32-44-42-30-34(53-47-25-13-10-22-40(47)41-23-11-14-26-48(41)53)28-29-39(42)37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(44)31-46(50)51/h3-32H,1-2H3/b36-35-,39-37-,43-38-,44-42-
InChIKeyAYBGSXJWZJTPQM-CYZJIRSCSA-N
XLogP13.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene with MolForge

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Related Compounds

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CID 130450658
33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene
CID 134428389
5-[10-(21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)tetraphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline
CID 153440629
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
9-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole
CID 118315064
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
11,16-di(carbazol-9-yl)-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428174

Frequently Asked Questions

What is the IUPAC name of 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene?
The IUPAC name of 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene (CID 134428385) is 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene.
What is the SMILES notation for 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene?
The canonical SMILES for 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-3.
What is the InChIKey of 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene?
The InChIKey is AYBGSXJWZJTPQM-CYZJIRSCSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)45-24-12-15-27-49(45)52(33-16-4-3-5-17-33)50-32-44-42-30-34(53-47-25-13-10-22-40(47)41-23-11-14-26-48(41)53)28-29-39(42)37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(44)31-46(50)51/h3-32H,1-2H3/b36-35-,39-37-,43-38-,44-42-.
What are the key properties of 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene?
17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene has a molecular weight of 676.86 g/mol, XLogP of 13.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 134428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).