4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

C41H30 — CID 59330336

IUPAC4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
SMILESCc1ccc2c(c1)c(-c1ccc3c(c1)C(C)(C)c1ccccc1-3)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4
InChIInChI=1S/C41H30/c1-23-13-16-27-33(19-23)32(25-15-18-29-28-10-7-8-12-37(28)41(3,4)38(29)20-25)21-35-31-17-14-24(2)39-30-11-6-5-9-26(30)36(40(31)39)22-34(27)35/h5-22H,1-4H3
InChIKeyAOPIZNKAYIFNRI-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.38
Rot. Bonds1

About 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 59330336) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
PubChem CID59330336
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
SMILESCc1ccc2c(c1)c(-c1ccc3c(c1)C(C)(C)c1ccccc1-3)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4
InChIInChI=1S/C41H30/c1-23-13-16-27-33(19-23)32(25-15-18-29-28-10-7-8-12-37(28)41(3,4)38(29)20-25)21-35-31-17-14-24(2)39-30-11-6-5-9-26(30)36(40(31)39)22-34(27)35/h5-22H,1-4H3
InChIKeyAOPIZNKAYIFNRI-UHFFFAOYSA-N
XLogP11.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene with MolForge

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Related Compounds

4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
CID 159287669
2-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-5,5-dimethylindeno[1,2-b]pyridine
CID 59330469
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
4-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319131
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
4-[4-(7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)phenyl]-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319132
9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 145474396
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (CID 59330336) is 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is Cc1ccc2c(c1)c(-c1ccc3c(c1)C(C)(C)c1ccccc1-3)cc1c3ccc(C)c4c3c(cc21)-c1ccccc1-4.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The InChIKey is AOPIZNKAYIFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-23-13-16-27-33(19-23)32(25-15-18-29-28-10-7-8-12-37(28)41(3,4)38(29)20-25)21-35-31-17-14-24(2)39-30-11-6-5-9-26(30)36(40(31)39)22-34(27)35/h5-22H,1-4H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 522.69 g/mol, XLogP of 11.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-7,21-dimethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 59330336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).