9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole

C48H30N2S — CID 129272471

IUPAC9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
SMILESC1=CC(c2ccc3sc4c(c3c2)-c2cccc3cccc-4c23)Cc2c1n(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc21
InChIInChI=1S/C48H30N2S/c1-4-16-41-34(11-1)35-12-2-5-17-42(35)49(41)32-21-23-33(24-22-32)50-43-18-6-3-13-36(43)39-27-30(19-25-44(39)50)31-20-26-45-40(28-31)47-37-14-7-9-29-10-8-15-38(46(29)37)48(47)51-45/h1-26,28,30H,27H2
InChIKeyQECMESCGYDACPE-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.10
Rot. Bonds3

About 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole

9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole (PubChem CID 129272471) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
PubChem CID129272471
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
SMILESC1=CC(c2ccc3sc4c(c3c2)-c2cccc3cccc-4c23)Cc2c1n(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc21
InChIInChI=1S/C48H30N2S/c1-4-16-41-34(11-1)35-12-2-5-17-42(35)49(41)32-21-23-33(24-22-32)50-43-18-6-3-13-36(43)39-27-30(19-25-44(39)50)31-20-26-45-40(28-31)47-37-14-7-9-29-10-8-15-38(46(29)37)48(47)51-45/h1-26,28,30H,27H2
InChIKeyQECMESCGYDACPE-UHFFFAOYSA-N
XLogP13.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole with MolForge

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Related Compounds

N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
CID 135233863
2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
4-phenyl-2-[2-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-h]quinazoline
CID 145186637
9-cyclohexa-1,5-dien-1-yl-3-(9-dibenzothiophen-4-yl-3,4-dihydrocarbazol-3-yl)carbazole
CID 166889623
3-methyl-4,5-diphenyl-2-[3-(9-thiapentacyclo[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)carbazol-9-yl]-2H-pyrimido[5,4-b]indole
CID 129272237
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 139443714
10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-5,6-dihydro-[1]benzothiolo[2,3-c]quinoline
CID 155019034

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole (CID 129272471) is 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole is C1=CC(c2ccc3sc4c(c3c2)-c2cccc3cccc-4c23)Cc2c1n(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1ccccc21.
What is the InChIKey of 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole?
The InChIKey is QECMESCGYDACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-4-16-41-34(11-1)35-12-2-5-17-42(35)49(41)32-21-23-33(24-22-32)50-43-18-6-3-13-36(43)39-27-30(19-25-44(39)50)31-20-26-45-40(28-31)47-37-14-7-9-29-10-8-15-38(46(29)37)48(47)51-45/h1-26,28,30H,27H2.
What are the key properties of 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole?
9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(9-thiapentacyclo[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)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 129272471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).