ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene

C63H50O — CID 158914020

IUPACethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene
SMILESCC.CC1(c2ccc(Oc3ccc(C4(C)c5ccccc5-c5cc6ccccc6cc54)cc3)cc2)c2ccccc2-c2cc3ccccc3cc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C48H34O.C13H10.C2H6/c1-47(43-17-9-7-15-39(43)41-27-31-11-3-5-13-33(31)29-45(41)47)35-19-23-37(24-20-35)49-38-25-21-36(22-26-38)48(2)44-18-10-8-16-40(44)42-28-32-12-4-6-14-34(32)30-46(42)48;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h3-30H,1-2H3;1-8H,9H2;1-2H3
InChIKeyJGZRRMQQEZUKNX-UHFFFAOYSA-N
MW823.09 g/mol
LogP16.74
Rot. Bonds4

About ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene

ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene (PubChem CID 158914020) has the molecular formula C63H50O and a molecular weight of 823.09 g/mol. Its IUPAC name is ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene.

Molecular Properties

Compound Nameethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene
PubChem CID158914020
Molecular FormulaC63H50O
Molecular Weight823.09 g/mol
Exact Mass822.39
IUPAC Nameethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene
SMILESCC.CC1(c2ccc(Oc3ccc(C4(C)c5ccccc5-c5cc6ccccc6cc54)cc3)cc2)c2ccccc2-c2cc3ccccc3cc21.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C48H34O.C13H10.C2H6/c1-47(43-17-9-7-15-39(43)41-27-31-11-3-5-13-33(31)29-45(41)47)35-19-23-37(24-20-35)49-38-25-21-36(22-26-38)48(2)44-18-10-8-16-40(44)42-28-32-12-4-6-14-34(32)30-46(42)48;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h3-30H,1-2H3;1-8H,9H2;1-2H3
InChIKeyJGZRRMQQEZUKNX-UHFFFAOYSA-N
XLogP16.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.09
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene with MolForge

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Related Compounds

9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
CID 158173229
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
ethane;9H-fluoren-2-amine
CID 142950354
ethane;9H-fluoren-2-ol
CID 91146688

Frequently Asked Questions

What is the IUPAC name of ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene?
The IUPAC name of ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene (CID 158914020) is ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene.
What is the SMILES notation for ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene?
The canonical SMILES for ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene is CC.CC1(c2ccc(Oc3ccc(C4(C)c5ccccc5-c5cc6ccccc6cc54)cc3)cc2)c2ccccc2-c2cc3ccccc3cc21.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene?
The InChIKey is JGZRRMQQEZUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O.C13H10.C2H6/c1-47(43-17-9-7-15-39(43)41-27-31-11-3-5-13-33(31)29-45(41)47)35-19-23-37(24-20-35)49-38-25-21-36(22-26-38)48(2)44-18-10-8-16-40(44)42-28-32-12-4-6-14-34(32)30-46(42)48;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2/h3-30H,1-2H3;1-8H,9H2;1-2H3.
What are the key properties of ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene?
ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene has a molecular weight of 823.09 g/mol, XLogP of 16.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene is sourced from PubChem (CID 158914020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).