2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene

C63H42F6 — CID 88882577

IUPAC2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccc(-c6ccc7c(c6)C(C(F)(F)F)(C(F)(F)F)c6ccccc6-7)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4ccccc34)cc21
InChIInChI=1S/C63H42F6/c1-59(2)53-18-10-7-15-42(53)45-27-23-37(31-56(45)59)48-33-52-41-25-21-35(36-22-26-47-44-17-9-12-20-55(44)61(58(47)30-36,62(64,65)66)63(67,68)69)29-50(41)49(34-51(52)40-14-6-5-13-39(40)48)38-24-28-46-43-16-8-11-19-54(43)60(3,4)57(46)32-38/h5-34H,1-4H3
InChIKeyRJLUSNRZHGSDCG-UHFFFAOYSA-N
MW913.02 g/mol
LogP18.15
Rot. Bonds3

About 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene

2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene (PubChem CID 88882577) has the molecular formula C63H42F6 and a molecular weight of 913.02 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
PubChem CID88882577
Molecular FormulaC63H42F6
Molecular Weight913.02 g/mol
Exact Mass912.32
IUPAC Name2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccc(-c6ccc7c(c6)C(C(F)(F)F)(C(F)(F)F)c6ccccc6-7)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4ccccc34)cc21
InChIInChI=1S/C63H42F6/c1-59(2)53-18-10-7-15-42(53)45-27-23-37(31-56(45)59)48-33-52-41-25-21-35(36-22-26-47-44-17-9-12-20-55(44)61(58(47)30-36,62(64,65)66)63(67,68)69)29-50(41)49(34-51(52)40-14-6-5-13-39(40)48)38-24-28-46-43-16-8-11-19-54(43)60(3,4)57(46)32-38/h5-34H,1-4H3
InChIKeyRJLUSNRZHGSDCG-UHFFFAOYSA-N
XLogP18.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.02
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene
CID 58511770
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
21-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569858
6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 59196207
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
CID 59512925

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene (CID 88882577) is 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccc(-c6ccc7c(c6)C(C(F)(F)F)(C(F)(F)F)c6ccccc6-7)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4ccccc34)cc21.
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene?
The InChIKey is RJLUSNRZHGSDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42F6/c1-59(2)53-18-10-7-15-42(53)45-27-23-37(31-56(45)59)48-33-52-41-25-21-35(36-22-26-47-44-17-9-12-20-55(44)61(58(47)30-36,62(64,65)66)63(67,68)69)29-50(41)49(34-51(52)40-14-6-5-13-39(40)48)38-24-28-46-43-16-8-11-19-54(43)60(3,4)57(46)32-38/h5-34H,1-4H3.
What are the key properties of 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene?
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene has a molecular weight of 913.02 g/mol, XLogP of 18.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-6,12-bis(9,9-dimethylfluoren-2-yl)chrysene is sourced from PubChem (CID 88882577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).