15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C50H30N4S — CID 129128914

IUPAC15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3c2sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C50H30N4S/c1-3-13-31(14-4-1)47-49-48(41-29-32-15-7-8-16-33(32)30-46(41)55-49)52-50(51-47)54-43-22-12-10-20-38(43)40-28-35(24-26-45(40)54)34-23-25-44-39(27-34)37-19-9-11-21-42(37)53(44)36-17-5-2-6-18-36/h1-30H
InChIKeyOQVZWORHLSIOMS-UHFFFAOYSA-N
MW718.89 g/mol
LogP13.53
Rot. Bonds4

About 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 129128914) has the molecular formula C50H30N4S and a molecular weight of 718.89 g/mol. Its IUPAC name is 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID129128914
Molecular FormulaC50H30N4S
Molecular Weight718.89 g/mol
Exact Mass718.22
IUPAC Name15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3c2sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C50H30N4S/c1-3-13-31(14-4-1)47-49-48(41-29-32-15-7-8-16-33(32)30-46(41)55-49)52-50(51-47)54-43-22-12-10-20-38(43)40-28-35(24-26-45(40)54)34-23-25-44-39(27-34)37-19-9-11-21-42(37)53(44)36-17-5-2-6-18-36/h1-30H
InChIKeyOQVZWORHLSIOMS-UHFFFAOYSA-N
XLogP13.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

15-phenyl-13-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371570
2-benzo[b]carbazol-5-yl-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146392233
2-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 139551257
13-(10-naphthalen-1-ylbenzo[c]carbazol-7-yl)-15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371687
15-phenyl-13-(5-phenylindolo[3,2-b]carbazol-11-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 170371904
2,4-diphenyl-8-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550977
2-carbazol-9-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232385
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162473143
15-phenyl-13-(11-phenylbenzo[c]carbazol-7-yl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371648
24-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118544051
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
4-phenyl-2-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154626603

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 129128914) is 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3c2sc2cc4ccccc4cc23)cc1.
What is the InChIKey of 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is OQVZWORHLSIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S/c1-3-13-31(14-4-1)47-49-48(41-29-32-15-7-8-16-33(32)30-46(41)55-49)52-50(51-47)54-43-22-12-10-20-38(43)40-28-35(24-26-45(40)54)34-23-25-44-39(27-34)37-19-9-11-21-42(37)53(44)36-17-5-2-6-18-36/h1-30H.
What are the key properties of 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 718.89 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-13-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 129128914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).