17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

C43H30N2 — CID 122464687

IUPAC17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3c(c4ccccc4n3-c3cccc4c3c3ccccc3n4-c3ccccc3)c21
InChIInChI=1S/C43H30N2/c1-43(2)32-18-9-6-15-29(32)40-33(43)25-23-27-24-26-38-42(39(27)40)31-17-8-11-20-35(31)45(38)37-22-12-21-36-41(37)30-16-7-10-19-34(30)44(36)28-13-4-3-5-14-28/h3-26H,1-2H3
InChIKeyWSAHCTKHBCWTFA-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.34
Rot. Bonds2

About 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (PubChem CID 122464687) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
PubChem CID122464687
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1ccc3c(c4ccccc4n3-c3cccc4c3c3ccccc3n4-c3ccccc3)c21
InChIInChI=1S/C43H30N2/c1-43(2)32-18-9-6-15-29(32)40-33(43)25-23-27-24-26-38-42(39(27)40)31-17-8-11-20-35(31)45(38)37-22-12-21-36-41(37)30-16-7-10-19-34(30)44(36)28-13-4-3-5-14-28/h3-26H,1-2H3
InChIKeyWSAHCTKHBCWTFA-UHFFFAOYSA-N
XLogP11.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene with MolForge

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Related Compounds

9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
9-(3H-indol-7-yl)-17,17-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464320
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
CID 158770389
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164803015
(3-carbazol-9-ylphenyl)-[4-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenylsilane
CID 140842311
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 140842761
6,14,14-trimethyl-9-phenyl-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
CID 137385485
9-[3-[2,6-bis[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126630761
17,17-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464909
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

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (CID 122464687) is 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is CC1(C)c2ccccc2-c2c1ccc1ccc3c(c4ccccc4n3-c3cccc4c3c3ccccc3n4-c3ccccc3)c21.
What is the InChIKey of 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The InChIKey is WSAHCTKHBCWTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)32-18-9-6-15-29(32)40-33(43)25-23-27-24-26-38-42(39(27)40)31-17-8-11-20-35(31)45(38)37-22-12-21-36-41(37)30-16-7-10-19-34(30)44(36)28-13-4-3-5-14-28/h3-26H,1-2H3.
What are the key properties of 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene has a molecular weight of 574.73 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 122464687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).