9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole

C49H52N2O2 — CID 139539836

IUPAC9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole
SMILESCN1CC=CC=C1C1CCC2C(C1)OC1C=CC=CC1C21C2=CCCC=C2OC2C=C(C3C=Cc4c(n(C5=CCCCC5)c5ccccc45)C3)C=CC21
InChIInChI=1S/C49H52N2O2/c1-50-28-12-11-18-42(50)34-24-27-41-48(31-34)53-46-21-10-7-17-39(46)49(41)38-16-6-9-20-45(38)52-47-30-33(23-26-40(47)49)32-22-25-37-36-15-5-8-19-43(36)51(44(37)29-32)35-13-3-2-4-14-35/h5,7-8,10-13,15-23,25-26,30,32,34,39-41,46-48H,2-4,6,9,14,24,27-29,31H2,1H3
InChIKeyRNQGNFUTPRTGBI-UHFFFAOYSA-N
MW700.97 g/mol
LogP10.65
Rot. Bonds3

About 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole

9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole (PubChem CID 139539836) has the molecular formula C49H52N2O2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole
PubChem CID139539836
Molecular FormulaC49H52N2O2
Molecular Weight700.97 g/mol
Exact Mass700.40
IUPAC Name9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole
SMILESCN1CC=CC=C1C1CCC2C(C1)OC1C=CC=CC1C21C2=CCCC=C2OC2C=C(C3C=Cc4c(n(C5=CCCCC5)c5ccccc45)C3)C=CC21
InChIInChI=1S/C49H52N2O2/c1-50-28-12-11-18-42(50)34-24-27-41-48(31-34)53-46-21-10-7-17-39(46)49(41)38-16-6-9-20-45(38)52-47-30-33(23-26-40(47)49)32-22-25-37-36-15-5-8-19-43(36)51(44(37)29-32)35-13-3-2-4-14-35/h5,7-8,10-13,15-23,25-26,30,32,34,39-41,46-48H,2-4,6,9,14,24,27-29,31H2,1H3
InChIKeyRNQGNFUTPRTGBI-UHFFFAOYSA-N
XLogP10.65
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3'-phenylspiro[3,4,4a,6,7,9a-hexahydroxanthene-9,9'-3,4,4a,8a,9a,10a-hexahydroxanthene]-3-yl)-3,4-dihydrophenoxazine
CID 135159490
2-[6-(1,4-dihydrodiazet-4-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-2,3,4,4a,8a,10a-hexahydroxanthene]-3-yl]-2,3-dihydro-1H-pyrrole
CID 163634057
CID 163999883
CID 163999883
9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine
CID 166957359
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 163537418
1-(6,6a-dihydrobenzo[b]carbazol-5-yl)-5-[6-(2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]-3,4-dihydrobenzo[b]carbazole
CID 139569967
9-phenyl-3-[6'-(1H-pyrrol-2-yl)spiro[1,2,3,4,4a,6,7,8,8a,9a-decahydroxanthene-9,9'-4a,8a,9a,10a-tetrahydroxanthene]-2'-yl]carbazole
CID 135159388
8-N-(3-cyclohexa-1,3-dien-1-ylcyclohexyl)-3-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-3-N-(9,9-dimethyl-1,4,4a,4b,8a,9a-hexahydrofluoren-3-yl)-8-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-3-yl)-3,4-dihydronaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574510
2-cyclohexa-2,4-dien-1-yl-4-[(8R)-8-(cyclohexen-1-yl)-8,9-dihydrodibenzofuran-4-yl]-6-(1,2-dihydrochrysen-3-yl)-1,3,5-triazine
CID 168740154
2-[9-[(5R)-5-(5-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4a,4b,7,8,8a,9a-hexahydrocarbazol-2-yl]-9-[4-[3,5-di(cyclohexa-1,3-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]-1,2-dihydrocarbazole
CID 146266759
N-[2-[6-[9-(cyclohexen-1-yl)carbazol-2-yl]cyclohexa-1,5-dien-1-yl]cyclohexen-1-yl]-1-(3-phenylcyclohexa-1,5-dien-1-yl)-2,3,5a,6,7,9a-hexahydrodibenzofuran-4-amine
CID 146490702
9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole (CID 139539836) is 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole is CN1CC=CC=C1C1CCC2C(C1)OC1C=CC=CC1C21C2=CCCC=C2OC2C=C(C3C=Cc4c(n(C5=CCCCC5)c5ccccc45)C3)C=CC21.
What is the InChIKey of 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole?
The InChIKey is RNQGNFUTPRTGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H52N2O2/c1-50-28-12-11-18-42(50)34-24-27-41-48(31-34)53-46-21-10-7-17-39(46)49(41)38-16-6-9-20-45(38)52-47-30-33(23-26-40(47)49)32-22-25-37-36-15-5-8-19-43(36)51(44(37)29-32)35-13-3-2-4-14-35/h5,7-8,10-13,15-23,25-26,30,32,34,39-41,46-48H,2-4,6,9,14,24,27-29,31H2,1H3.
What are the key properties of 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole?
9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole has a molecular weight of 700.97 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 139539836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).