(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene

C26H25I — CID 89176985

IUPAC(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene
SMILESC=C1/C=C\CCCc2ccc(-c3ccc(I)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C26H25I/c1-18-9-5-4-6-10-19-13-14-20(17-24(19)26(18,2)3)21-15-16-25(27)23-12-8-7-11-22(21)23/h5,7-9,11-17H,1,4,6,10H2,2-3H3/b9-5-
InChIKeySUXFBIVQQGKUPD-UITAMQMPSA-N
MW464.39 g/mol
LogP7.84
Rot. Bonds1

About (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene

(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene (PubChem CID 89176985) has the molecular formula C26H25I and a molecular weight of 464.39 g/mol. Its IUPAC name is (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene.

Molecular Properties

Compound Name(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene
PubChem CID89176985
Molecular FormulaC26H25I
Molecular Weight464.39 g/mol
Exact Mass464.10
IUPAC Name(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene
SMILESC=C1/C=C\CCCc2ccc(-c3ccc(I)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C26H25I/c1-18-9-5-4-6-10-19-13-14-20(17-24(19)26(18,2)3)21-15-16-25(27)23-12-8-7-11-22(21)23/h5,7-9,11-17H,1,4,6,10H2,2-3H3/b9-5-
InChIKeySUXFBIVQQGKUPD-UITAMQMPSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-4,4-dimethyl-5-methylidene-14-N-(4-methylphenyl)tetracyclo[11.8.0.03,11.015,20]henicosa-1(21),2,6,11,13,15,17,19-octaene-14,21-diamine
CID 88996884
(7Z,9Z)-3-(4-iodonaphthalen-1-yl)-5,5,6-trimethyl-11-methylidene-6H-benzo[9]annulene
CID 89176920
7-(4-iodonaphthalen-1-yl)-9,9-dimethyl-3,4,4a,9a-tetrahydrofluorene
CID 70999717
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9-[(7Z,9Z)-5,5-dimethyl-6-methylidene-11H-benzo[9]annulen-3-yl]-10-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]anthracene
CID 143984222
1-iodo-4-naphthalen-2-ylnaphthalene
CID 70902488
2-(5,6-dihydronaphthalen-2-yl)-7-iodo-9,9-dimethylfluorene
CID 70999827
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
3-[9-(9,9-dimethylfluoren-2-yl)-10-(5,5-dimethyl-6,7,8,9,10,11-hexahydrobenzo[9]annulen-3-yl)anthracen-2-yl]fluoranthene
CID 90885271
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838

Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene?
The IUPAC name of (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene (CID 89176985) is (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene.
What is the SMILES notation for (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene?
The canonical SMILES for (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene is C=C1/C=C\CCCc2ccc(-c3ccc(I)c4ccccc34)cc2C1(C)C.
What is the InChIKey of (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene?
The InChIKey is SUXFBIVQQGKUPD-UITAMQMPSA-N. The full InChI is InChI=1S/C26H25I/c1-18-9-5-4-6-10-19-13-14-20(17-24(19)26(18,2)3)21-15-16-25(27)23-12-8-7-11-22(21)23/h5,7-9,11-17H,1,4,6,10H2,2-3H3/b9-5-.
What are the key properties of (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene?
(7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene has a molecular weight of 464.39 g/mol, XLogP of 7.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(4-iodonaphthalen-1-yl)-5,5-dimethyl-6-methylidene-10,11-dihydro-9H-benzo[9]annulene is sourced from PubChem (CID 89176985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).