6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

C44H32 — CID 142362875

IUPAC6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2cc(-c3ccc4c(c3)-c3ccc5ccccc5c3C4(C)C)ccc2-c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C44H32/c1-43(2)37-23-29(28-17-21-36-35(22-28)32-18-14-25-8-5-6-11-31(25)42(32)44(36,3)4)16-19-33(37)41-34-20-15-27-10-7-9-26-12-13-30(24-38(41)43)40(34)39(26)27/h5-24H,1-4H3
InChIKeyRMMWZCQMDFMGFN-UHFFFAOYSA-N
MW560.74 g/mol
LogP12.02
Rot. Bonds1

About 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene

6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (PubChem CID 142362875) has the molecular formula C44H32 and a molecular weight of 560.74 g/mol. Its IUPAC name is 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
PubChem CID142362875
Molecular FormulaC44H32
Molecular Weight560.74 g/mol
Exact Mass560.25
IUPAC Name6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2cc(-c3ccc4c(c3)-c3ccc5ccccc5c3C4(C)C)ccc2-c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C44H32/c1-43(2)37-23-29(28-17-21-36-35(22-28)32-18-14-25-8-5-6-11-31(25)42(32)44(36,3)4)16-19-33(37)41-34-20-15-27-10-7-9-26-12-13-30(24-38(41)43)40(34)39(26)27/h5-24H,1-4H3
InChIKeyRMMWZCQMDFMGFN-UHFFFAOYSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

6,6,16,16-tetramethyl-23-naphthalen-1-yl-10-phenyloctacyclo[20.6.2.02,17.03,15.05,13.07,12.019,29.026,30]triaconta-1(29),2(17),3(15),4,7(12),8,10,13,18,20,22,24,26(30),27-tetradecaene
CID 58261530
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
9-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[a]fluorene;2-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-naphthalen-2-ylanthracen-9-yl]-11,11-dimethylbenzo[b]fluorene;9-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-naphthalen-2-ylanthracen-9-yl]-7,7-dimethylbenzo[c]fluorene;9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 158851609
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
5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
CID 160895073
4-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412748
17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162
11,11-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene;11,11-dimethyl-2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;11,11-dimethyl-3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[b]fluorene;7,7-dimethyl-9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;7,7-dimethyl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzo[c]fluorene;11,11-dimethyl-8-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[a]fluorene
CID 158512021
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 159897883
11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
CID 158385348
11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276
11,11-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenylphenyl)anthracen-9-yl]benzo[b]fluorene;7,7-dimethyl-9-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;7,7-dimethyl-10-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene;methane
CID 163496973

Frequently Asked Questions

What is the IUPAC name of 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene (CID 142362875) is 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5ccccc5c3C4(C)C)ccc2-c2c1cc1ccc3cccc4ccc2c1c34.
What is the InChIKey of 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
The InChIKey is RMMWZCQMDFMGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32/c1-43(2)37-23-29(28-17-21-36-35(22-28)32-18-14-25-8-5-6-11-31(25)42(32)44(36,3)4)16-19-33(37)41-34-20-15-27-10-7-9-26-12-13-30(24-38(41)43)40(34)39(26)27/h5-24H,1-4H3.
What are the key properties of 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene?
6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene has a molecular weight of 560.74 g/mol, XLogP of 12.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 142362875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).