1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene

C203H254 — CID 159615865

IUPAC1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)c1ccccc12.CC(C)(C)c1ccc2c(ccc3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1ccc2c(ccc3cccc(C(C)(C)C)c32)c1.CC(C)(C)c1ccc2cc(C(C)(C)C)c3ccccc3c2c1.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C
InChIInChI=1S/5C23H30.4C22H26/c1-21(2,3)15-10-12-19-18(13-15)17-11-9-16(22(4,5)6)14-20(17)23(19,7)8;1-21(2,3)15-9-11-19-17(13-15)18-14-16(22(4,5)6)10-12-20(18)23(19,7)8;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(14-20(15)19)22(4,5)6;1-21(2,3)17-12-13-18-16(14-17)11-10-15-8-7-9-19(20(15)18)22(4,5)6;1-21(2,3)16-11-12-17-15(13-16)14-20(22(4,5)6)19-10-8-7-9-18(17)19;1-21(2,3)16-12-11-15-13-20(22(4,5)6)18-10-8-7-9-17(18)19(15)14-16/h5*9-14H,1-8H3;4*7-14H,1-6H3
InChIKeyMNGVORHVMDHBRO-UHFFFAOYSA-N
MW2694.26 g/mol
LogP59.29
Rot. Bonds

About 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene

1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene (PubChem CID 159615865) has the molecular formula C203H254 and a molecular weight of 2694.26 g/mol. Its IUPAC name is 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene.

Molecular Properties

Compound Name1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
PubChem CID159615865
Molecular FormulaC203H254
Molecular Weight2694.26 g/mol
Exact Mass2691.99
IUPAC Name1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)c1ccccc12.CC(C)(C)c1ccc2c(ccc3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1ccc2c(ccc3cccc(C(C)(C)C)c32)c1.CC(C)(C)c1ccc2cc(C(C)(C)C)c3ccccc3c2c1.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C
InChIInChI=1S/5C23H30.4C22H26/c1-21(2,3)15-10-12-19-18(13-15)17-11-9-16(22(4,5)6)14-20(17)23(19,7)8;1-21(2,3)15-9-11-19-17(13-15)18-14-16(22(4,5)6)10-12-20(18)23(19,7)8;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(14-20(15)19)22(4,5)6;1-21(2,3)17-12-13-18-16(14-17)11-10-15-8-7-9-19(20(15)18)22(4,5)6;1-21(2,3)16-11-12-17-15(13-16)14-20(22(4,5)6)19-10-8-7-9-18(17)19;1-21(2,3)16-12-11-15-13-20(22(4,5)6)18-10-8-7-9-17(18)19(15)14-16/h5*9-14H,1-8H3;4*7-14H,1-6H3
InChIKeyMNGVORHVMDHBRO-UHFFFAOYSA-N
XLogP59.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002694.26
LogP ≤ 559.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene with MolForge

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Related Compounds

1-tert-butylphenanthrene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;4-tert-butylphenanthrene;2,2-dimethylpropane;phenanthrene
CID 157219441
1,5-ditert-butyl-9,9-dimethylfluorene;1,6-ditert-butyl-9,9-dimethylfluorene;1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butyl-9,9-dimethylfluorene
CID 158121103
anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene
CID 160876965
1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
5-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;3-tert-butylfluoranthene;3-tert-butylperylene;2-tert-butyltriphenylene
CID 165102581
8-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;11,11-dimethyl-1-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-2-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-3-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-4-propan-2-ylbenzo[b]fluorene
CID 159909633
1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]
CID 157336148
9-tert-butyl-2-(9,9-dimethylfluoren-2-yl)phenanthrene
CID 123587872
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
3-[6-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454013
5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 168802398

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene?
The IUPAC name of 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene (CID 159615865) is 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene.
What is the SMILES notation for 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene?
The canonical SMILES for 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1c-2cccc1C(C)(C)C.CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)cc(C(C)(C)C)c1ccccc12.CC(C)(C)c1ccc2c(ccc3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1ccc2c(ccc3cccc(C(C)(C)C)c32)c1.CC(C)(C)c1ccc2cc(C(C)(C)C)c3ccccc3c2c1.CC(C)(C)c1cccc2c1C(C)(C)c1c-2cccc1C(C)(C)C.
What is the InChIKey of 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene?
The InChIKey is MNGVORHVMDHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C23H30.4C22H26/c1-21(2,3)15-10-12-19-18(13-15)17-11-9-16(22(4,5)6)14-20(17)23(19,7)8;1-21(2,3)15-9-11-19-17(13-15)18-14-16(22(4,5)6)10-12-20(18)23(19,7)8;1-21(2,3)15-9-11-17-18-12-10-16(22(4,5)6)14-20(18)23(7,8)19(17)13-15;1-21(2,3)17-13-9-11-15-16-12-10-14-18(22(4,5)6)20(16)23(7,8)19(15)17;1-21(2,3)15-12-13-16-17-10-9-11-18(22(4,5)6)20(17)23(7,8)19(16)14-15;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(14-20(15)19)22(4,5)6;1-21(2,3)17-12-13-18-16(14-17)11-10-15-8-7-9-19(20(15)18)22(4,5)6;1-21(2,3)16-11-12-17-15(13-16)14-20(22(4,5)6)19-10-8-7-9-18(17)19;1-21(2,3)16-12-11-15-13-20(22(4,5)6)18-10-8-7-9-17(18)19(15)14-16/h5*9-14H,1-8H3;4*7-14H,1-6H3.
What are the key properties of 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene?
1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene has a molecular weight of 2694.26 g/mol, XLogP of 59.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene is sourced from PubChem (CID 159615865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).