9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol

C63H62O3 — CID 123691695

IUPAC9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
SMILESCCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.COc1ccc(C2(c3ccc(CO)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C34H36O.C29H26O2/c1-5-6-7-8-21-35-29-17-15-28(16-18-29)34(27-13-9-24(2)10-14-27)32-22-25(3)11-19-30(32)31-20-12-26(4)23-33(31)34;1-19-4-14-25-26-15-5-20(2)17-28(26)29(27(25)16-19,22-8-6-21(18-30)7-9-22)23-10-12-24(31-3)13-11-23/h9-20,22-23H,5-8,21H2,1-4H3;4-17,30H,18H2,1-3H3
InChIKeyMQAHJLSVMAYQAD-UHFFFAOYSA-N
MW867.19 g/mol
LogP15.10
Rot. Bonds12

About 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol

9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol (PubChem CID 123691695) has the molecular formula C63H62O3 and a molecular weight of 867.19 g/mol. Its IUPAC name is 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol.

Molecular Properties

Compound Name9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
PubChem CID123691695
Molecular FormulaC63H62O3
Molecular Weight867.19 g/mol
Exact Mass866.47
IUPAC Name9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
SMILESCCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.COc1ccc(C2(c3ccc(CO)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C34H36O.C29H26O2/c1-5-6-7-8-21-35-29-17-15-28(16-18-29)34(27-13-9-24(2)10-14-27)32-22-25(3)11-19-30(32)31-20-12-26(4)23-33(31)34;1-19-4-14-25-26-15-5-20(2)17-28(26)29(27(25)16-19,22-8-6-21(18-30)7-9-22)23-10-12-24(31-3)13-11-23/h9-20,22-23H,5-8,21H2,1-4H3;4-17,30H,18H2,1-3H3
InChIKeyMQAHJLSVMAYQAD-UHFFFAOYSA-N
XLogP15.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.19
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2,7-dimethyl-9,9-bis(3-methylbutyl)fluorene;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol;9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;bis(2,7,9,9-tetramethylfluorene)
CID 158586322
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
[4-[46,51-diethyl-33-(4-methoxyphenyl)-15-methyl-36-(7-methyl-9,9-dioctylfluoren-2-yl)-17,38,41,46,49,51-hexazatridecacyclo[31.9.2.219,22.12,6.15,8.17,11.123,27.126,29.128,32.012,20.013,18.034,39.040,44]dopentaconta-1(43),2(52),3,5,7,9,11(50),13(18),14,16,19,21,23(47),24,26,28,30,32(45),34(39),35,37,40(44),41,48-tetracosaen-12-yl]phenyl]methanol
CID 159125816
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
CID 59821626
1-methoxy-4-tetradecoxybenzene
CID 91712423
1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
3,8-dibromo-6-(4-methylphenyl)-6-(4-octoxyphenyl)benzo[c]chromene
CID 59561084
1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
CID 160801660

Frequently Asked Questions

What is the IUPAC name of 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol?
The IUPAC name of 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol (CID 123691695) is 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol.
What is the SMILES notation for 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol?
The canonical SMILES for 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol is CCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.COc1ccc(C2(c3ccc(CO)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol?
The InChIKey is MQAHJLSVMAYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O.C29H26O2/c1-5-6-7-8-21-35-29-17-15-28(16-18-29)34(27-13-9-24(2)10-14-27)32-22-25(3)11-19-30(32)31-20-12-26(4)23-33(31)34;1-19-4-14-25-26-15-5-20(2)17-28(26)29(27(25)16-19,22-8-6-21(18-30)7-9-22)23-10-12-24(31-3)13-11-23/h9-20,22-23H,5-8,21H2,1-4H3;4-17,30H,18H2,1-3H3.
What are the key properties of 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol?
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol has a molecular weight of 867.19 g/mol, XLogP of 15.10, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol is sourced from PubChem (CID 123691695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).