30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

C52H28N4S — CID 118603627

IUPAC30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)nc2c1
InChIInChI=1S/C52H28N4S/c1-6-22-40-33(15-1)51(55-41-23-7-2-13-29(41)30-14-3-8-24-42(30)55)54-52(53-40)56-43-25-9-4-16-34(43)49-36-20-11-18-31-32-19-12-21-37-48(32)39(38(47(31)36)27-44(49)56)28-46-50(37)35-17-5-10-26-45(35)57-46/h1-28H
InChIKeyUIGIXXFUWJKSFR-UHFFFAOYSA-N
MW740.89 g/mol
LogP14.24
Rot. Bonds2

About 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (PubChem CID 118603627) has the molecular formula C52H28N4S and a molecular weight of 740.89 g/mol. Its IUPAC name is 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

Molecular Properties

Compound Name30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
PubChem CID118603627
Molecular FormulaC52H28N4S
Molecular Weight740.89 g/mol
Exact Mass740.20
IUPAC Name30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)nc2c1
InChIInChI=1S/C52H28N4S/c1-6-22-40-33(15-1)51(55-41-23-7-2-13-29(41)30-14-3-8-24-42(30)55)54-52(53-40)56-43-25-9-4-16-34(43)49-36-20-11-18-31-32-19-12-21-37-48(32)39(38(47(31)36)27-44(49)56)28-46-50(37)35-17-5-10-26-45(35)57-46/h1-28H
InChIKeyUIGIXXFUWJKSFR-UHFFFAOYSA-N
XLogP14.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.89
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene with MolForge

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Related Compounds

5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-30-naphthalen-2-yl-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603596
5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603554
30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 160801968
5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361333
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
3-dibenzothiophen-3-yl-9-(4-perylen-3-ylquinazolin-2-yl)carbazole
CID 90129214
15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene
CID 162425336
9-carbazol-9-yl-7-(4-dibenzothiophen-1-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481219
5-phenyl-30-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603560
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
9-(4-naphtho[2,1-b][1]benzothiol-5-ylquinazolin-2-yl)-3-(2-phenylcarbazol-9-yl)carbazole
CID 155485518
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
CID 118154625

Frequently Asked Questions

What is the IUPAC name of 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The IUPAC name of 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (CID 118603627) is 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.
What is the SMILES notation for 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The canonical SMILES for 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is c1ccc2c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)nc2c1.
What is the InChIKey of 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The InChIKey is UIGIXXFUWJKSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N4S/c1-6-22-40-33(15-1)51(55-41-23-7-2-13-29(41)30-14-3-8-24-42(30)55)54-52(53-40)56-43-25-9-4-16-34(43)49-36-20-11-18-31-32-19-12-21-37-48(32)39(38(47(31)36)27-44(49)56)28-46-50(37)35-17-5-10-26-45(35)57-46/h1-28H.
What are the key properties of 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene has a molecular weight of 740.89 g/mol, XLogP of 14.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 30-(4-carbazol-9-ylquinazolin-2-yl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is sourced from PubChem (CID 118603627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).