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

C47H32N2 — CID 163787935

IUPAC15-(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
SMILESCC1(C)c2ccccc2-c2cc3c4c5ccccc5c5ccccc5c4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc21
InChIInChI=1S/C47H32N2/c1-47(2)40-20-10-7-15-33(40)38-27-39-44(28-41(38)47)49(46-37-19-6-4-14-32(37)31-13-3-5-18-36(31)45(39)46)30-25-23-29(24-26-30)48-42-21-11-8-16-34(42)35-17-9-12-22-43(35)48/h3-28H,1-2H3
InChIKeyMUEGZHJMONQZPG-UHFFFAOYSA-N
MW624.79 g/mol
LogP12.49
Rot. Bonds2

About 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

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 (PubChem CID 163787935) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(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
PubChem CID163787935
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC Name15-(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
SMILESCC1(C)c2ccccc2-c2cc3c4c5ccccc5c5ccccc5c4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc21
InChIInChI=1S/C47H32N2/c1-47(2)40-20-10-7-15-33(40)38-27-39-44(28-41(38)47)49(46-37-19-6-4-14-32(37)31-13-3-5-18-36(31)45(39)46)30-25-23-29(24-26-30)48-42-21-11-8-16-34(42)35-17-9-12-22-43(35)48/h3-28H,1-2H3
InChIKeyMUEGZHJMONQZPG-UHFFFAOYSA-N
XLogP12.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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-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
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
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4c5ccccc5c5ccccc5c4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is MUEGZHJMONQZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-47(2)40-20-10-7-15-33(40)38-27-39-44(28-41(38)47)49(46-37-19-6-4-14-32(37)31-13-3-5-18-36(31)45(39)46)30-25-23-29(24-26-30)48-42-21-11-8-16-34(42)35-17-9-12-22-43(35)48/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 624.79 g/mol, XLogP of 12.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163787935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).