9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole

C38H26N2O — CID 167352109

IUPAC9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole
SMILESC1=Cc2c(oc3c2C(n2c4ccccc4c4ccccc42)=CCC=C3)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C38H26N2O/c1-5-18-31-26(13-1)27-14-2-6-19-32(27)39(31)25-12-11-17-30-37(24-25)41-36-23-10-9-22-35(38(30)36)40-33-20-7-3-15-28(33)29-16-4-8-21-34(29)40/h1-8,10-23H,9,24H2
InChIKeyNASZRFUECNHUGY-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.91
Rot. Bonds2

About 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole

9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole (PubChem CID 167352109) has the molecular formula C38H26N2O and a molecular weight of 526.64 g/mol. Its IUPAC name is 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole.

Molecular Properties

Compound Name9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole
PubChem CID167352109
Molecular FormulaC38H26N2O
Molecular Weight526.64 g/mol
Exact Mass526.20
IUPAC Name9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole
SMILESC1=Cc2c(oc3c2C(n2c4ccccc4c4ccccc42)=CCC=C3)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C38H26N2O/c1-5-18-31-26(13-1)27-14-2-6-19-32(27)39(31)25-12-11-17-30-37(24-25)41-36-23-10-9-22-35(38(30)36)40-33-20-7-3-15-28(33)29-16-4-8-21-34(29)40/h1-8,10-23H,9,24H2
InChIKeyNASZRFUECNHUGY-UHFFFAOYSA-N
XLogP9.91
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole 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

9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole
CID 121412519
1-[5-([1]benzofuro[2,3-b]carbazol-7-yl)cyclohexa-2,4-dien-1-yl]-N-[(4-phenylcyclohexa-1,5-dien-1-yl)methyl]methanamine
CID 170129921
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
CID 153238097
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
CID 154947539
9-[[4-(2,5-dihydrocarbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 135741214
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
9-(2,3,6,7-tetrahydrodibenzofuran-2-yl)carbazole
CID 163850112
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole
CID 163881802
14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene
CID 145085369

Frequently Asked Questions

What is the IUPAC name of 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole?
The IUPAC name of 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole (CID 167352109) is 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole.
What is the SMILES notation for 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole?
The canonical SMILES for 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole is C1=Cc2c(oc3c2C(n2c4ccccc4c4ccccc42)=CCC=C3)CC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole?
The InChIKey is NASZRFUECNHUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O/c1-5-18-31-26(13-1)27-14-2-6-19-32(27)39(31)25-12-11-17-30-37(24-25)41-36-23-10-9-22-35(38(30)36)40-33-20-7-3-15-28(33)29-16-4-8-21-34(29)40/h1-8,10-23H,9,24H2.
What are the key properties of 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole?
9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole has a molecular weight of 526.64 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(12-carbazol-9-yl-9-oxatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,12,14-hexaen-3-yl)carbazole is sourced from PubChem (CID 167352109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).