ethane;10,10'-spirobi[7H-benzo[a]azulene]

C35H44 — CID 168937553

IUPACethane;10,10'-spirobi[7H-benzo[a]azulene]
SMILESC1=CC2=C(C=CC1)C1(C3=C(C=CCC=C3)c3ccccc31)c1ccccc12.CC.CC.CC.CC
InChIInChI=1S/C27H20.4C2H6/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27;4*1-2/h3-18H,1-2H2;4*1-2H3
InChIKeyDNOZVBHVCIUWMK-UHFFFAOYSA-N
MW464.74 g/mol
LogP10.64
Rot. Bonds

About ethane;10,10'-spirobi[7H-benzo[a]azulene]

ethane;10,10'-spirobi[7H-benzo[a]azulene] (PubChem CID 168937553) has the molecular formula C35H44 and a molecular weight of 464.74 g/mol. Its IUPAC name is ethane;10,10'-spirobi[7H-benzo[a]azulene].

Molecular Properties

Compound Nameethane;10,10'-spirobi[7H-benzo[a]azulene]
PubChem CID168937553
Molecular FormulaC35H44
Molecular Weight464.74 g/mol
Exact Mass464.34
IUPAC Nameethane;10,10'-spirobi[7H-benzo[a]azulene]
SMILESC1=CC2=C(C=CC1)C1(C3=C(C=CCC=C3)c3ccccc31)c1ccccc12.CC.CC.CC.CC
InChIInChI=1S/C27H20.4C2H6/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27;4*1-2/h3-18H,1-2H2;4*1-2H3
InChIKeyDNOZVBHVCIUWMK-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(8Z)-2'-methylspiro[7,10-dihydrocycloocta[a]indene-11,10'-7H-benzo[a]azulene]
CID 144876245
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
spiro[3,7-dihydro-2H-benzo[a]azulene-10,10'-benzo[a]azulene]
CID 144820076
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
(3Z,6Z)-13-methyl-2,8-dimethylidene-13-phenylspiro[bicyclo[8.5.0]pentadeca-1(10),3,6,11,14-pentaene-9,9'-fluorene]
CID 145331695
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 142835495
4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
CID 134504794
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919

Frequently Asked Questions

What is the IUPAC name of ethane;10,10'-spirobi[7H-benzo[a]azulene]?
The IUPAC name of ethane;10,10'-spirobi[7H-benzo[a]azulene] (CID 168937553) is ethane;10,10'-spirobi[7H-benzo[a]azulene].
What is the SMILES notation for ethane;10,10'-spirobi[7H-benzo[a]azulene]?
The canonical SMILES for ethane;10,10'-spirobi[7H-benzo[a]azulene] is C1=CC2=C(C=CC1)C1(C3=C(C=CCC=C3)c3ccccc31)c1ccccc12.CC.CC.CC.CC.
What is the InChIKey of ethane;10,10'-spirobi[7H-benzo[a]azulene]?
The InChIKey is DNOZVBHVCIUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.4C2H6/c1-3-11-19-21-13-7-9-17-25(21)27(23(19)15-5-1)24-16-6-2-4-12-20(24)22-14-8-10-18-26(22)27;4*1-2/h3-18H,1-2H2;4*1-2H3.
What are the key properties of ethane;10,10'-spirobi[7H-benzo[a]azulene]?
ethane;10,10'-spirobi[7H-benzo[a]azulene] has a molecular weight of 464.74 g/mol, XLogP of 10.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10,10'-spirobi[7H-benzo[a]azulene] is sourced from PubChem (CID 168937553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).