1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]

C35H21ClO — CID 168799005

IUPAC1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]
SMILESClc1ccc(-c2cccc3ccccc23)c2c1C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21ClO/c36-31-21-20-27(24-15-9-11-22-10-1-2-12-23(22)24)34-33(31)35(30-18-7-8-19-32(30)37-34)28-16-5-3-13-25(28)26-14-4-6-17-29(26)35/h1-21H
InChIKeyQORYDOADLDKVRW-UHFFFAOYSA-N
MW493.01 g/mol
LogP9.63
Rot. Bonds1

About 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]

1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene] (PubChem CID 168799005) has the molecular formula C35H21ClO and a molecular weight of 493.01 g/mol. Its IUPAC name is 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]
PubChem CID168799005
Molecular FormulaC35H21ClO
Molecular Weight493.01 g/mol
Exact Mass492.13
IUPAC Name1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]
SMILESClc1ccc(-c2cccc3ccccc23)c2c1C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21ClO/c36-31-21-20-27(24-15-9-11-22-10-1-2-12-23(22)24)34-33(31)35(30-18-7-8-19-32(30)37-34)28-16-5-3-13-25(28)26-14-4-6-17-29(26)35/h1-21H
InChIKeyQORYDOADLDKVRW-UHFFFAOYSA-N
XLogP9.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.01
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 126729461
4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]
CID 155334397
9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
CID 118521018
2-[1-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)naphthalen-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 175690416
CID 140863591
CID 140863591
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
CID 155333446
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
CID 146184431
CID 146184431
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
4'-(2-chlorophenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 138568930

Frequently Asked Questions

What is the IUPAC name of 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene] (CID 168799005) is 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene] is Clc1ccc(-c2cccc3ccccc23)c2c1C1(c3ccccc3O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]?
The InChIKey is QORYDOADLDKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21ClO/c36-31-21-20-27(24-15-9-11-22-10-1-2-12-23(22)24)34-33(31)35(30-18-7-8-19-32(30)37-34)28-16-5-3-13-25(28)26-14-4-6-17-29(26)35/h1-21H.
What are the key properties of 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]?
1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene] has a molecular weight of 493.01 g/mol, XLogP of 9.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chloro-4'-naphthalen-1-ylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 168799005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).