6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene

C59H46 — CID 169280508

IUPAC6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccc(-c5ccccc5)cc4)c4c5c(c6ccccc6c4-c4ccccc4)C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C59H46/c1-58(2)50-25-15-13-21-45(50)46-36-35-44(37-52(46)58)40-29-33-43(34-30-40)53(42-31-27-39(28-32-42)38-17-7-5-8-18-38)56-54(41-19-9-6-10-20-41)47-22-11-12-23-48(47)57-55(56)49-24-14-16-26-51(49)59(57,3)4/h5-37,53H,1-4H3
InChIKeyKNRSMVYRSCYETL-UHFFFAOYSA-N
MW755.02 g/mol
LogP15.63
Rot. Bonds6

About 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene

6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene (PubChem CID 169280508) has the molecular formula C59H46 and a molecular weight of 755.02 g/mol. Its IUPAC name is 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene.

Molecular Properties

Compound Name6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
PubChem CID169280508
Molecular FormulaC59H46
Molecular Weight755.02 g/mol
Exact Mass754.36
IUPAC Name6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccc(-c5ccccc5)cc4)c4c5c(c6ccccc6c4-c4ccccc4)C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C59H46/c1-58(2)50-25-15-13-21-45(50)46-36-35-44(37-52(46)58)40-29-33-43(34-30-40)53(42-31-27-39(28-32-42)38-17-7-5-8-18-38)56-54(41-19-9-6-10-20-41)47-22-11-12-23-48(47)57-55(56)49-24-14-16-26-51(49)59(57,3)4/h5-37,53H,1-4H3
InChIKeyKNRSMVYRSCYETL-UHFFFAOYSA-N
XLogP15.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
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
17-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 159143787
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene?
The IUPAC name of 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene (CID 169280508) is 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene.
What is the SMILES notation for 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene?
The canonical SMILES for 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc(C(c4ccc(-c5ccccc5)cc4)c4c5c(c6ccccc6c4-c4ccccc4)C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene?
The InChIKey is KNRSMVYRSCYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46/c1-58(2)50-25-15-13-21-45(50)46-36-35-44(37-52(46)58)40-29-33-43(34-30-40)53(42-31-27-39(28-32-42)38-17-7-5-8-18-38)56-54(41-19-9-6-10-20-41)47-22-11-12-23-48(47)57-55(56)49-24-14-16-26-51(49)59(57,3)4/h5-37,53H,1-4H3.
What are the key properties of 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene?
6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene has a molecular weight of 755.02 g/mol, XLogP of 15.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-(4-phenylphenyl)methyl]-11,11-dimethyl-5-phenylbenzo[a]fluorene is sourced from PubChem (CID 169280508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).