3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]

C34H24 — CID 163841303

IUPAC3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]
SMILESCc1ccc2c3c(ccc2c1)-c1ccccc1C31C2=C(CCC=C2)c2cc3ccccc3cc21
InChIInChI=1S/C34H24/c1-21-14-16-25-24(18-21)15-17-28-26-10-4-6-12-30(26)34(33(25)28)31-13-7-5-11-27(31)29-19-22-8-2-3-9-23(22)20-32(29)34/h2-4,6-10,12-20H,5,11H2,1H3
InChIKeyOMFWWKSNYOKTOD-UHFFFAOYSA-N
MW432.57 g/mol
LogP8.73
Rot. Bonds

About 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]

3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene] (PubChem CID 163841303) has the molecular formula C34H24 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene].

Molecular Properties

Compound Name3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]
PubChem CID163841303
Molecular FormulaC34H24
Molecular Weight432.57 g/mol
Exact Mass432.19
IUPAC Name3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]
SMILESCc1ccc2c3c(ccc2c1)-c1ccccc1C31C2=C(CCC=C2)c2cc3ccccc3cc21
InChIInChI=1S/C34H24/c1-21-14-16-25-24(18-21)15-17-28-26-10-4-6-12-30(26)34(33(25)28)31-13-7-5-11-27(31)29-19-22-8-2-3-9-23(22)20-32(29)34/h2-4,6-10,12-20H,5,11H2,1H3
InChIKeyOMFWWKSNYOKTOD-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
N-(2,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494447
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 71016755
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
(2Z,4Z)-6-methylidene-8-[10-(3-spiro[3,4-dihydrofluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,20-nonaene]-7'-ylphenyl)anthracen-9-yl]-1-benzoxocine
CID 145353052
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446

Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]?
The IUPAC name of 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene] (CID 163841303) is 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene].
What is the SMILES notation for 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]?
The canonical SMILES for 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene] is Cc1ccc2c3c(ccc2c1)-c1ccccc1C31C2=C(CCC=C2)c2cc3ccccc3cc21.
What is the InChIKey of 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]?
The InChIKey is OMFWWKSNYOKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24/c1-21-14-16-25-24(18-21)15-17-28-26-10-4-6-12-30(26)34(33(25)28)31-13-7-5-11-27(31)29-19-22-8-2-3-9-23(22)20-32(29)34/h2-4,6-10,12-20H,5,11H2,1H3.
What are the key properties of 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene]?
3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene] has a molecular weight of 432.57 g/mol, XLogP of 8.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[3,4-dihydrobenzo[b]fluorene-11,11'-benzo[a]fluorene] is sourced from PubChem (CID 163841303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).