10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C48H30N2S — CID 139457346

IUPAC10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESC1=Cc2c(c3cccc(-c4cccc5c4sc4ccccc45)c3n2-c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)CC1
InChIInChI=1S/C48H30N2S/c1-5-19-42-32(11-1)36-15-9-16-37(39-18-10-17-38-35-14-4-8-22-45(35)51-48(38)39)46(36)49(42)31-25-23-29(24-26-31)30-27-40-33-12-2-6-20-43(33)50-44-21-7-3-13-34(44)41(28-30)47(40)50/h2-10,12-28H,1,11H2
InChIKeyFGBXSTDJDAHXFO-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.44
Rot. Bonds3

About 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 139457346) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID139457346
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESC1=Cc2c(c3cccc(-c4cccc5c4sc4ccccc45)c3n2-c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)CC1
InChIInChI=1S/C48H30N2S/c1-5-19-42-32(11-1)36-15-9-16-37(39-18-10-17-38-35-14-4-8-22-45(35)51-48(38)39)46(36)49(42)31-25-23-29(24-26-31)30-27-40-33-12-2-6-20-43(33)50-44-21-7-3-13-34(44)41(28-30)47(40)50/h2-10,12-28H,1,11H2
InChIKeyFGBXSTDJDAHXFO-UHFFFAOYSA-N
XLogP13.44
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

7-(4-carbazol-9-ylphenyl)-2-dibenzothiophen-4-yl-4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3-benzothiazole
CID 147485381
9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 155027642
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
6-bromo-12-(4-phenylphenyl)-3,4-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 167148697
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
10-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121323825
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
5,20-di(dibenzothiophen-4-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591247
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866

Frequently Asked Questions

What is the IUPAC name of 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 139457346) is 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is C1=Cc2c(c3cccc(-c4cccc5c4sc4ccccc45)c3n2-c2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc2)CC1.
What is the InChIKey of 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is FGBXSTDJDAHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-5-19-42-32(11-1)36-15-9-16-37(39-18-10-17-38-35-14-4-8-22-45(35)51-48(38)39)46(36)49(42)31-25-23-29(24-26-31)30-27-40-33-12-2-6-20-43(33)50-44-21-7-3-13-34(44)41(28-30)47(40)50/h2-10,12-28H,1,11H2.
What are the key properties of 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 666.85 g/mol, XLogP of 13.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(8-dibenzothiophen-4-yl-3,4-dihydrocarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 139457346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).