1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene

C34H29Cl — CID 156827027

IUPAC1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Clc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13Cl.C16H16/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3/h1-13H;4-10H,1-3H3
InChIKeyXMKDEJAPCNQEJC-UHFFFAOYSA-N
MW473.06 g/mol
LogP9.98
Rot. Bonds2

About 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene

1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene (PubChem CID 156827027) has the molecular formula C34H29Cl and a molecular weight of 473.06 g/mol. Its IUPAC name is 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
PubChem CID156827027
Molecular FormulaC34H29Cl
Molecular Weight473.06 g/mol
Exact Mass472.20
IUPAC Name1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
SMILESCc1ccc2c(c1)-c1ccccc1C2(C)C.Clc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13Cl.C16H16/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3/h1-13H;4-10H,1-3H3
InChIKeyXMKDEJAPCNQEJC-UHFFFAOYSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene?
The IUPAC name of 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene (CID 156827027) is 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene.
What is the SMILES notation for 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene?
The canonical SMILES for 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene is Cc1ccc2c(c1)-c1ccccc1C2(C)C.Clc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene?
The InChIKey is XMKDEJAPCNQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl.C16H16/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3/h1-13H;4-10H,1-3H3.
What are the key properties of 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene?
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene has a molecular weight of 473.06 g/mol, XLogP of 9.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene is sourced from PubChem (CID 156827027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).