10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]

C41H29N — CID 135293740

IUPAC10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]
SMILESC1=CCCC(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc6ccccc6c5)c43)c3ccccc32)=C1
InChIInChI=1S/C41H29N/c1-2-15-31(16-3-1)42-38-23-10-8-21-36(38)41(37-22-9-11-24-39(37)42)35-20-7-6-17-33(35)34-19-12-18-32(40(34)41)30-26-25-28-13-4-5-14-29(28)27-30/h1-2,4-15,17-27H,3,16H2
InChIKeyZUIMXMDDHCWOIH-UHFFFAOYSA-N
MW535.69 g/mol
LogP10.56
Rot. Bonds2

About 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]

10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene] (PubChem CID 135293740) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]
PubChem CID135293740
Molecular FormulaC41H29N
Molecular Weight535.69 g/mol
Exact Mass535.23
IUPAC Name10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]
SMILESC1=CCCC(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc6ccccc6c5)c43)c3ccccc32)=C1
InChIInChI=1S/C41H29N/c1-2-15-31(16-3-1)42-38-23-10-8-21-36(38)41(37-22-9-11-24-39(37)42)35-20-7-6-17-33(35)34-19-12-18-32(40(34)41)30-26-25-28-13-4-5-14-29(28)27-30/h1-2,4-15,17-27H,3,16H2
InChIKeyZUIMXMDDHCWOIH-UHFFFAOYSA-N
XLogP10.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134171795
CID 134171795
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
10-cyclohexa-1,3-dien-1-yl-2-[2-(6-cyclohexa-1,5-dien-3-yn-1-yl-2-phenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
CID 137394884
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178072
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 145321954

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene] (CID 135293740) is 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene] is C1=CCCC(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc6ccccc6c5)c43)c3ccccc32)=C1.
What is the InChIKey of 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]?
The InChIKey is ZUIMXMDDHCWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N/c1-2-15-31(16-3-1)42-38-23-10-8-21-36(38)41(37-22-9-11-24-39(37)42)35-20-7-6-17-33(35)34-19-12-18-32(40(34)41)30-26-25-28-13-4-5-14-29(28)27-30/h1-2,4-15,17-27H,3,16H2.
What are the key properties of 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene]?
10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene] has a molecular weight of 535.69 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,3-dien-1-yl-1'-naphthalen-2-ylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 135293740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).