8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole

C49H39NO2 — CID 135159497

IUPAC8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole
SMILESC1=CC(c2cccc3c2OC2=C(CCC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)=C2)C32c3ccccc3Oc3ccccc32)CCC1
InChIInChI=1S/C49H39NO2/c1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34/h2-3,5-9,11-15,17-25,27-28,31-32H,1,4,10,16,26,29-30H2
InChIKeySGCKCWRCYPQEQV-UHFFFAOYSA-N
MW673.86 g/mol
LogP12.38
Rot. Bonds3

About 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole

8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole (PubChem CID 135159497) has the molecular formula C49H39NO2 and a molecular weight of 673.86 g/mol. Its IUPAC name is 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole
PubChem CID135159497
Molecular FormulaC49H39NO2
Molecular Weight673.86 g/mol
Exact Mass673.30
IUPAC Name8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole
SMILESC1=CC(c2cccc3c2OC2=C(CCC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)=C2)C32c3ccccc3Oc3ccccc32)CCC1
InChIInChI=1S/C49H39NO2/c1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34/h2-3,5-9,11-15,17-25,27-28,31-32H,1,4,10,16,26,29-30H2
InChIKeySGCKCWRCYPQEQV-UHFFFAOYSA-N
XLogP12.38
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohex-2-en-1-yl-6-phenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)phenyl]pyrimidine
CID 155443255
12-(4-phenothiazin-10-ylphenyl)-10,11-dihydro-[1,4]benzodioxino[2,3-a]carbazole
CID 118442329
9-(3,5-diphenylphenyl)-8-[9-(4-phenylphenyl)-4b,7,8,8a-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazole
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9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
CID 118860963
7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 118861041
9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole
CID 139539875
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
1-methyl-2,4-bis(3-phenylphenyl)-6-(2-spiro[1,2-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)-2H-pyrimidine
CID 130379166
9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 146185724
9-cyclohexa-1,5-dien-1-yl-3-[(2'S)-5'-phenyl-9,9'-spirobi[1,2-dihydroxanthene]-2'-yl]-3,4,4a,9a-tetrahydrocarbazole
CID 135159418
N-cyclohexa-2,4-dien-1-yl-N-[4-[4'-[4-(N-[3-(9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]phenyl]-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)aniline
CID 88985239
3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166701788

Frequently Asked Questions

What is the IUPAC name of 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole (CID 135159497) is 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole is C1=CC(c2cccc3c2OC2=C(CCC(c4cccc5c6c(n(-c7ccccc7)c45)CCC=C6)=C2)C32c3ccccc3Oc3ccccc32)CCC1.
What is the InChIKey of 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is SGCKCWRCYPQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NO2/c1-3-15-32(16-4-1)36-21-14-25-42-48(36)52-46-31-33(29-30-41(46)49(42)39-23-8-11-27-44(39)51-45-28-12-9-24-40(45)49)35-20-13-22-38-37-19-7-10-26-43(37)50(47(35)38)34-17-5-2-6-18-34/h2-3,5-9,11-15,17-25,27-28,31-32H,1,4,10,16,26,29-30H2.
What are the key properties of 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole?
8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 673.86 g/mol, XLogP of 12.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyclohex-2-en-1-ylspiro[1,2-dihydroxanthene-9,9'-xanthene]-3-yl)-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 135159497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).