9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene

C45H34 — CID 145384369

IUPAC9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene
SMILESC=C(c1ccc2ccccc2c1)c1ccccc1/C(=C1/C=CC=CC1)C1(c2ccccc2)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C45H34/c1-31-25-28-40-39-22-13-14-24-42(39)45(43(40)29-31,37-19-7-4-8-20-37)44(34-16-5-3-6-17-34)41-23-12-11-21-38(41)32(2)35-27-26-33-15-9-10-18-36(33)30-35/h3-16,18-30H,2,17H2,1H3/b44-34+
InChIKeyMOVJQMUDPYZEMF-WTCPEQCQSA-N
MW574.77 g/mol
LogP11.49
Rot. Bonds5

About 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene

9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene (PubChem CID 145384369) has the molecular formula C45H34 and a molecular weight of 574.77 g/mol. Its IUPAC name is 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene.

Molecular Properties

Compound Name9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene
PubChem CID145384369
Molecular FormulaC45H34
Molecular Weight574.77 g/mol
Exact Mass574.27
IUPAC Name9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene
SMILESC=C(c1ccc2ccccc2c1)c1ccccc1/C(=C1/C=CC=CC1)C1(c2ccccc2)c2ccccc2-c2ccc(C)cc21
InChIInChI=1S/C45H34/c1-31-25-28-40-39-22-13-14-24-42(39)45(43(40)29-31,37-19-7-4-8-20-37)44(34-16-5-3-6-17-34)41-23-12-11-21-38(41)32(2)35-27-26-33-15-9-10-18-36(33)30-35/h3-16,18-30H,2,17H2,1H3/b44-34+
InChIKeyMOVJQMUDPYZEMF-WTCPEQCQSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene?
The IUPAC name of 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene (CID 145384369) is 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene.
What is the SMILES notation for 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene?
The canonical SMILES for 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene is C=C(c1ccc2ccccc2c1)c1ccccc1/C(=C1/C=CC=CC1)C1(c2ccccc2)c2ccccc2-c2ccc(C)cc21.
What is the InChIKey of 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene?
The InChIKey is MOVJQMUDPYZEMF-WTCPEQCQSA-N. The full InChI is InChI=1S/C45H34/c1-31-25-28-40-39-22-13-14-24-42(39)45(43(40)29-31,37-19-7-4-8-20-37)44(34-16-5-3-6-17-34)41-23-12-11-21-38(41)32(2)35-27-26-33-15-9-10-18-36(33)30-35/h3-16,18-30H,2,17H2,1H3/b44-34+.
What are the key properties of 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene?
9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene has a molecular weight of 574.77 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene is sourced from PubChem (CID 145384369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).