27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene

C43H29N — CID 146982725

IUPAC27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c5c6ccccc6c6ccccc6c5c5ccccc5c4n(-c4ccccc4)c3cc21
InChIInChI=1S/C43H29N/c1-43(2)36-23-13-12-18-29(36)34-24-35-38(25-37(34)43)44(26-14-4-3-5-15-26)42-33-22-11-10-21-32(33)39-30-19-8-6-16-27(30)28-17-7-9-20-31(28)40(39)41(35)42/h3-25H,1-2H3
InChIKeyAOQCNYAJQVVTRE-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.70
Rot. Bonds1

About 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene

27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene (PubChem CID 146982725) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene.

Molecular Properties

Compound Name27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene
PubChem CID146982725
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC Name27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c5c6ccccc6c6ccccc6c5c5ccccc5c4n(-c4ccccc4)c3cc21
InChIInChI=1S/C43H29N/c1-43(2)36-23-13-12-18-29(36)34-24-35-38(25-37(34)43)44(26-14-4-3-5-15-26)42-33-22-11-10-21-32(33)39-30-19-8-6-16-27(30)28-17-7-9-20-31(28)40(39)41(35)42/h3-25H,1-2H3
InChIKeyAOQCNYAJQVVTRE-UHFFFAOYSA-N
XLogP11.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene with MolForge

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Related Compounds

15-(4-carbazol-9-ylphenyl)-11,11-dimethyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,25,27-tridecaene
CID 163787935
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
CID 88946984
CID 88946984
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
N-[4-[4-(23,23-dimethyl-19-azaoctacyclo[16.14.0.02,15.03,8.09,14.020,32.022,30.024,29]dotriaconta-1(18),2(15),3,5,7,9,11,13,16,20,22(30),24,26,28,31-pentadecaen-19-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527923
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
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229

Frequently Asked Questions

What is the IUPAC name of 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene?
The IUPAC name of 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene (CID 146982725) is 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene.
What is the SMILES notation for 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene?
The canonical SMILES for 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene is CC1(C)c2ccccc2-c2cc3c4c5c6ccccc6c6ccccc6c5c5ccccc5c4n(-c4ccccc4)c3cc21.
What is the InChIKey of 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene?
The InChIKey is AOQCNYAJQVVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-43(2)36-23-13-12-18-29(36)34-24-35-38(25-37(34)43)44(26-14-4-3-5-15-26)42-33-22-11-10-21-32(33)39-30-19-8-6-16-27(30)28-17-7-9-20-31(28)40(39)41(35)42/h3-25H,1-2H3.
What are the key properties of 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene?
27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene has a molecular weight of 559.71 g/mol, XLogP of 11.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene is sourced from PubChem (CID 146982725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).