3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]

C43H33N5 — CID 167268527

IUPAC3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]
SMILESc1ccc(-c2nc(-c3cnc4c(c3)-c3ccccc3C43C4CC5CC6CC3C6(C5)C4)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C43H33N5/c1-2-10-26(11-3-1)39-45-40(47-41(46-39)48-35-16-8-5-13-31(35)32-14-6-9-17-36(32)48)27-20-33-30-12-4-7-15-34(30)43(38(33)44-24-27)29-19-25-18-28-21-37(43)42(28,22-25)23-29/h1-17,20,24-25,28-29,37H,18-19,21-23H2
InChIKeyNGFSKQPVGMNRCC-UHFFFAOYSA-N
MW619.77 g/mol
LogP9.42
Rot. Bonds3

About 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]

3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] (PubChem CID 167268527) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane].

Molecular Properties

Compound Name3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]
PubChem CID167268527
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]
SMILESc1ccc(-c2nc(-c3cnc4c(c3)-c3ccccc3C43C4CC5CC6CC3C6(C5)C4)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C43H33N5/c1-2-10-26(11-3-1)39-45-40(47-41(46-39)48-35-16-8-5-13-31(35)32-14-6-9-17-36(32)48)27-20-33-30-12-4-7-15-34(30)43(38(33)44-24-27)29-19-25-18-28-21-37(43)42(28,22-25)23-29/h1-17,20,24-25,28-29,37H,18-19,21-23H2
InChIKeyNGFSKQPVGMNRCC-UHFFFAOYSA-N
XLogP9.42
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
CID 156567839
3'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-b]pyridine]
CID 167268524
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
CID 156567473
4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,2'-adamantane]
CID 167270023
N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine
CID 156567588
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
9-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171574370
9-(4-phenyl-6-spiro[fluorene-9,23'-hexacyclo[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-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole
CID 122413287
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171574335
12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,2'-adamantane]
CID 164819419

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The IUPAC name of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] (CID 167268527) is 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane].
What is the SMILES notation for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The canonical SMILES for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] is c1ccc(-c2nc(-c3cnc4c(c3)-c3ccccc3C43C4CC5CC6CC3C6(C5)C4)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The InChIKey is NGFSKQPVGMNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-2-10-26(11-3-1)39-45-40(47-41(46-39)48-35-16-8-5-13-31(35)32-14-6-9-17-36(32)48)27-20-33-30-12-4-7-15-34(30)43(38(33)44-24-27)29-19-25-18-28-21-37(43)42(28,22-25)23-29/h1-17,20,24-25,28-29,37H,18-19,21-23H2.
What are the key properties of 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]?
3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] has a molecular weight of 619.77 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[indeno[2,1-b]pyridine-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane] is sourced from PubChem (CID 167268527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).