1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene

C55H48 — CID 178165621

IUPAC1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1=C(CCC=C1)C2(C)C
InChIInChI=1S/C26H18.C16H18.C13H12/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-16H,1H3;4,6,8-10H,5,7H2,1-3H3;2-10H,1H3
InChIKeyKZTLCSKDMYYQOR-UHFFFAOYSA-N
MW708.99 g/mol
LogP14.39
Rot. Bonds1

About 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene

1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene (PubChem CID 178165621) has the molecular formula C55H48 and a molecular weight of 708.99 g/mol. Its IUPAC name is 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene.

Molecular Properties

Compound Name1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
PubChem CID178165621
Molecular FormulaC55H48
Molecular Weight708.99 g/mol
Exact Mass708.38
IUPAC Name1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1=C(CCC=C1)C2(C)C
InChIInChI=1S/C26H18.C16H18.C13H12/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-16H,1H3;4,6,8-10H,5,7H2,1-3H3;2-10H,1H3
InChIKeyKZTLCSKDMYYQOR-UHFFFAOYSA-N
XLogP14.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.99
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
1-N-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-4-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylbenzene-1,4-diamine oxide
CID 163766448
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
CID 58607554
CID 58607554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene?
The IUPAC name of 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene (CID 178165621) is 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene.
What is the SMILES notation for 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene?
The canonical SMILES for 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene is Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)C1=C(CCC=C1)C2(C)C.
What is the InChIKey of 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene?
The InChIKey is KZTLCSKDMYYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.C16H18.C13H12/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-16H,1H3;4,6,8-10H,5,7H2,1-3H3;2-10H,1H3.
What are the key properties of 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene?
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene has a molecular weight of 708.99 g/mol, XLogP of 14.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene is sourced from PubChem (CID 178165621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).