ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene

C34H35N — CID 144930884

IUPACethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene
SMILESCC.Cc1cc2ccccc2c(-c2ccccc2)n1.Cc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C16H13N.C16H16.C2H6/c1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-2/h2-11H,1H3;4-10H,1-3H3;1-2H3
InChIKeyMDZHJAGYPIDNIU-UHFFFAOYSA-N
MW457.66 g/mol
LogP9.54
Rot. Bonds1

About ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene

ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene (PubChem CID 144930884) has the molecular formula C34H35N and a molecular weight of 457.66 g/mol. Its IUPAC name is ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene.

Molecular Properties

Compound Nameethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene
PubChem CID144930884
Molecular FormulaC34H35N
Molecular Weight457.66 g/mol
Exact Mass457.28
IUPAC Nameethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene
SMILESCC.Cc1cc2ccccc2c(-c2ccccc2)n1.Cc1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C16H13N.C16H16.C2H6/c1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-2/h2-11H,1H3;4-10H,1-3H3;1-2H3
InChIKeyMDZHJAGYPIDNIU-UHFFFAOYSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
CID 118502176
anthracene;benzene;1,1'-biphenyl;hexakis(9,9-dimethylfluorene);ethane;naphthalene;toluene
CID 161069048
9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
CID 158039423
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427313
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 156896750
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 157292922

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene?
The IUPAC name of ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene (CID 144930884) is ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene.
What is the SMILES notation for ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene?
The canonical SMILES for ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene is CC.Cc1cc2ccccc2c(-c2ccccc2)n1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene?
The InChIKey is MDZHJAGYPIDNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C16H16.C2H6/c1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-2/h2-11H,1H3;4-10H,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene?
ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene has a molecular weight of 457.66 g/mol, XLogP of 9.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-phenylisoquinoline;3,9,9-trimethylfluorene is sourced from PubChem (CID 144930884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).