9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene

C44H30 — CID 144531002

IUPAC9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene
SMILESCC1(c2ccccc2)c2ccccc2-c2c1cc1ccc3c4c(cc5ccc2c1c53)-c1ccccc1C4(C)c1ccccc1
InChIInChI=1S/C44H30/c1-43(29-13-5-3-6-14-29)37-20-12-10-18-32(37)41-33-23-21-27-25-35-31-17-9-11-19-36(31)44(2,30-15-7-4-8-16-30)42(35)34-24-22-28(26-38(41)43)39(33)40(27)34/h3-26H,1-2H3
InChIKeyXAOUCWGANGPYFG-UHFFFAOYSA-N
MW558.72 g/mol
LogP11.25
Rot. Bonds2

About 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene

9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene (PubChem CID 144531002) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene.

Molecular Properties

Compound Name9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene
PubChem CID144531002
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene
SMILESCC1(c2ccccc2)c2ccccc2-c2c1cc1ccc3c4c(cc5ccc2c1c53)-c1ccccc1C4(C)c1ccccc1
InChIInChI=1S/C44H30/c1-43(29-13-5-3-6-14-29)37-20-12-10-18-32(37)41-33-23-21-27-25-35-31-17-9-11-19-36(31)44(2,30-15-7-4-8-16-30)42(35)34-24-22-28(26-38(41)43)39(33)40(27)34/h3-26H,1-2H3
InChIKeyXAOUCWGANGPYFG-UHFFFAOYSA-N
XLogP11.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene 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

9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
12,26-dimethyl-2,12,16,26-tetraphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6,8,10,14,16,18,20,22,24,27-tridecaene
CID 58142476
9-methyl-9-phenylfluoren-4-ol
CID 139484121
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
CID 171453734
6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 157142907
N-(3-tert-butylphenyl)-10-methyl-N,10-diphenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine
CID 168739829
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
3,20-dimethyl-3,20-di(propan-2-yl)octacyclo[13.13.2.02,10.04,9.011,30.018,29.019,27.021,26]triaconta-1(28),2(10),4,6,8,11,13,15(30),16,18(29),19(27),21,23,25-tetradecaene
CID 123229182
3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
CID 123216847
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030

Frequently Asked Questions

What is the IUPAC name of 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene?
The IUPAC name of 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene (CID 144531002) is 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene.
What is the SMILES notation for 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene?
The canonical SMILES for 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene is CC1(c2ccccc2)c2ccccc2-c2c1cc1ccc3c4c(cc5ccc2c1c53)-c1ccccc1C4(C)c1ccccc1.
What is the InChIKey of 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene?
The InChIKey is XAOUCWGANGPYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-43(29-13-5-3-6-14-29)37-20-12-10-18-32(37)41-33-23-21-27-25-35-31-17-9-11-19-36(31)44(2,30-15-7-4-8-16-30)42(35)34-24-22-28(26-38(41)43)39(33)40(27)34/h3-26H,1-2H3.
What are the key properties of 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene?
9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene has a molecular weight of 558.72 g/mol, XLogP of 11.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene is sourced from PubChem (CID 144531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).