28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

C57H37N — CID 122527979

IUPAC28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21
InChIInChI=1S/C57H37N/c1-57(2)53-25-12-11-24-46(53)50-31-52-51-30-48-43-22-9-6-18-39(43)40-19-7-10-23-44(40)49(48)32-55(51)58(56(52)33-54(50)57)36-15-13-14-34(28-36)35-26-27-45-41-20-4-3-16-37(41)38-17-5-8-21-42(38)47(45)29-35/h3-33H,1-2H3
InChIKeyZEKUPROHDBAWNK-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.68
Rot. Bonds2

About 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (PubChem CID 122527979) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.

Molecular Properties

Compound Name28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
PubChem CID122527979
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC Name28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21
InChIInChI=1S/C57H37N/c1-57(2)53-25-12-11-24-46(53)50-31-52-51-30-48-43-22-9-6-18-39(43)40-19-7-10-23-44(40)49(48)32-55(51)58(56(52)33-54(50)57)36-15-13-14-34(28-36)35-26-27-45-41-20-4-3-16-37(41)38-17-5-8-21-42(38)47(45)29-35/h3-33H,1-2H3
InChIKeyZEKUPROHDBAWNK-UHFFFAOYSA-N
XLogP15.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene with MolForge

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Related Compounds

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CID 118919744
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
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
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
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7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
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9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931
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2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702

Frequently Asked Questions

What is the IUPAC name of 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The IUPAC name of 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (CID 122527979) is 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.
What is the SMILES notation for 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The canonical SMILES for 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21.
What is the InChIKey of 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
The InChIKey is ZEKUPROHDBAWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-57(2)53-25-12-11-24-46(53)50-31-52-51-30-48-43-22-9-6-18-39(43)40-19-7-10-23-44(40)49(48)32-55(51)58(56(52)33-54(50)57)36-15-13-14-34(28-36)35-26-27-45-41-20-4-3-16-37(41)38-17-5-8-21-42(38)47(45)29-35/h3-33H,1-2H3.
What are the key properties of 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?
28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene has a molecular weight of 735.93 g/mol, XLogP of 15.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 28,28-dimethyl-32-(3-triphenylen-2-ylphenyl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 122527979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).