11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

C39H29N5 — CID 134416527

IUPAC11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)C2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C39H29N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-25,32,36-37H,(H,40,41,42)
InChIKeyZAHSGVSQZCWQBT-UHFFFAOYSA-N
MW567.70 g/mol
LogP8.41
Rot. Bonds3

About 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (PubChem CID 134416527) has the molecular formula C39H29N5 and a molecular weight of 567.70 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
PubChem CID134416527
Molecular FormulaC39H29N5
Molecular Weight567.70 g/mol
Exact Mass567.24
IUPAC Name11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)C2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C39H29N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-25,32,36-37H,(H,40,41,42)
InChIKeyZAHSGVSQZCWQBT-UHFFFAOYSA-N
XLogP8.41
TPSA44.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.70
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,11-bis(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 123991546
12-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-6b,10a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 144564741
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
N,N-diphenyl-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,12,14,16,19(24),20,22,25,27,29-tetradecaen-22-amine
CID 138494267
2-[3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-5-phenylphenyl]-1,3-benzoxazole
CID 174273358
7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
CID 174275456
12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
9-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702509
12-(4-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166849708

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (CID 134416527) is 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccccc3N(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)C2c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The InChIKey is ZAHSGVSQZCWQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-25,32,36-37H,(H,40,41,42).
What are the key properties of 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole has a molecular weight of 567.70 g/mol, XLogP of 8.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 134416527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).