5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene

C44H34 — CID 58142415

IUPAC5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4ccccc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C
InChIInChI=1S/C44H34/c1-43(2)35-21-13-11-19-29(35)31-23-25-33-38(28-17-9-6-10-18-28)40-34(37(39(33)41(31)43)27-15-7-5-8-16-27)26-24-32-30-20-12-14-22-36(30)44(3,4)42(32)40/h5-26H,1-4H3
InChIKeySEYFWCGYONUGNZ-UHFFFAOYSA-N
MW562.76 g/mol
LogP11.94
Rot. Bonds2

About 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene

5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene (PubChem CID 58142415) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene.

Molecular Properties

Compound Name5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
PubChem CID58142415
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4ccccc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C
InChIInChI=1S/C44H34/c1-43(2)35-21-13-11-19-29(35)31-23-25-33-38(28-17-9-6-10-18-28)40-34(37(39(33)41(31)43)27-15-7-5-8-16-27)26-24-32-30-20-12-14-22-36(30)44(3,4)42(32)40/h5-26H,1-4H3
InChIKeySEYFWCGYONUGNZ-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
CID 58142463
1-phenyl-2-[4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)phenyl]benzimidazole
CID 58142510
16,16-dimethyl-5-(4-phenylnaphthalen-1-yl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 123876471
9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
CID 20822083
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
3,3-dimethyl-22-[3-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130185973
11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
CID 171734741
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene
CID 140792227
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932

Frequently Asked Questions

What is the IUPAC name of 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene?
The IUPAC name of 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene (CID 58142415) is 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene.
What is the SMILES notation for 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene?
The canonical SMILES for 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene is CC1(C)c2ccccc2-c2ccc3c(-c4ccccc4)c4c5c(ccc4c(-c4ccccc4)c3c21)-c1ccccc1C5(C)C.
What is the InChIKey of 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene?
The InChIKey is SEYFWCGYONUGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-43(2)35-21-13-11-19-29(35)31-23-25-33-38(28-17-9-6-10-18-28)40-34(37(39(33)41(31)43)27-15-7-5-8-16-27)26-24-32-30-20-12-14-22-36(30)44(3,4)42(32)40/h5-26H,1-4H3.
What are the key properties of 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene?
5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene has a molecular weight of 562.76 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,19,19-tetramethyl-2,16-diphenylheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene is sourced from PubChem (CID 58142415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).