9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole

C60H34N2S — CID 90347227

IUPAC9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
SMILESc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1cc3sc4cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c5cc4c3cc21
InChIInChI=1S/C60H34N2S/c1-3-15-39-37(13-1)47-29-35(61-55-21-9-5-17-43(55)44-18-6-10-22-56(44)61)25-27-41(47)51-33-59-53(31-49(39)51)54-32-50-40-16-4-2-14-38(40)48-30-36(26-28-42(48)52(50)34-60(54)63-59)62-57-23-11-7-19-45(57)46-20-8-12-24-58(46)62/h1-34H
InChIKeySPLFFRCVDXTDQF-UHFFFAOYSA-N
MW815.01 g/mol
LogP17.17
Rot. Bonds2

About 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole

9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole (PubChem CID 90347227) has the molecular formula C60H34N2S and a molecular weight of 815.01 g/mol. Its IUPAC name is 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole.

Molecular Properties

Compound Name9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
PubChem CID90347227
Molecular FormulaC60H34N2S
Molecular Weight815.01 g/mol
Exact Mass814.24
IUPAC Name9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
SMILESc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1cc3sc4cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c5cc4c3cc21
InChIInChI=1S/C60H34N2S/c1-3-15-39-37(13-1)47-29-35(61-55-21-9-5-17-43(55)44-18-6-10-22-56(44)61)25-27-41(47)51-33-59-53(31-49(39)51)54-32-50-40-16-4-2-14-38(40)48-30-36(26-28-42(48)52(50)34-60(54)63-59)62-57-23-11-7-19-45(57)46-20-8-12-24-58(46)62/h1-34H
InChIKeySPLFFRCVDXTDQF-UHFFFAOYSA-N
XLogP17.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.01
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-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-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole
CID 166009487
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 90211229
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
9-phenyl-3-[(9-phenylcarbazol-3-yl)-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)phosphoryl]carbazole
CID 139538399

Frequently Asked Questions

What is the IUPAC name of 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole?
The IUPAC name of 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole (CID 90347227) is 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole.
What is the SMILES notation for 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole?
The canonical SMILES for 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole is c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1cc3sc4cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c5cc4c3cc21.
What is the InChIKey of 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole?
The InChIKey is SPLFFRCVDXTDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2S/c1-3-15-39-37(13-1)47-29-35(61-55-21-9-5-17-43(55)44-18-6-10-22-56(44)61)25-27-41(47)51-33-59-53(31-49(39)51)54-32-50-40-16-4-2-14-38(40)48-30-36(26-28-42(48)52(50)34-60(54)63-59)62-57-23-11-7-19-45(57)46-20-8-12-24-58(46)62/h1-34H.
What are the key properties of 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole?
9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole has a molecular weight of 815.01 g/mol, XLogP of 17.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole is sourced from PubChem (CID 90347227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).