(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene

C37H32 — CID 101394622

IUPAC(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene
SMILESCC(C)(C)c1ccc2c(c1)/C(=C\C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C37H32/c1-36(2,3)30-23-24-33-31-21-13-14-22-32(31)35(34(33)25-30)26-37(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-26H,1-3H3/b35-26-
InChIKeyBXNCJMJXCQIJET-JYUHDHNASA-N
MW476.66 g/mol
LogP9.43
Rot. Bonds4

About (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene

(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene (PubChem CID 101394622) has the molecular formula C37H32 and a molecular weight of 476.66 g/mol. Its IUPAC name is (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.

Molecular Properties

Compound Name(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene
PubChem CID101394622
Molecular FormulaC37H32
Molecular Weight476.66 g/mol
Exact Mass476.25
IUPAC Name(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene
SMILESCC(C)(C)c1ccc2c(c1)/C(=C\C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C37H32/c1-36(2,3)30-23-24-33-31-21-13-14-22-32(31)35(34(33)25-30)26-37(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-26H,1-3H3/b35-26-
InChIKeyBXNCJMJXCQIJET-JYUHDHNASA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 59.43
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

3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201
Rubrene
CID 68203
7H-Benzo(c)fluorene
CID 9150
Indeno(1,2,3-hi)chrysene
CID 130669

Frequently Asked Questions

What is the IUPAC name of (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene?
The IUPAC name of (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene (CID 101394622) is (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.
What is the SMILES notation for (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene?
The canonical SMILES for (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene is CC(C)(C)c1ccc2c(c1)/C(=C\C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2.
What is the InChIKey of (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene?
The InChIKey is BXNCJMJXCQIJET-JYUHDHNASA-N. The full InChI is InChI=1S/C37H32/c1-36(2,3)30-23-24-33-31-21-13-14-22-32(31)35(34(33)25-30)26-37(27-15-7-4-8-16-27,28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-26H,1-3H3/b35-26-.
What are the key properties of (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene?
(9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene has a molecular weight of 476.66 g/mol, XLogP of 9.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene is sourced from PubChem (CID 101394622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).