11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole

C30H22N4 — CID 130181172

IUPAC11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccc6ccccc6c54)c3)NN2)cc1
InChIInChI=1S/C30H22N4/c1-2-10-21(11-3-1)29-31-30(33-32-29)22-12-8-13-23(19-22)34-27-16-7-6-15-25(27)26-18-17-20-9-4-5-14-24(20)28(26)34/h1-19,30,33H,(H,31,32)
InChIKeyZJAKZWQAQXOLPP-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.49
Rot. Bonds3

About 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole

11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole (PubChem CID 130181172) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole
PubChem CID130181172
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccc6ccccc6c54)c3)NN2)cc1
InChIInChI=1S/C30H22N4/c1-2-10-21(11-3-1)29-31-30(33-32-29)22-12-8-13-23(19-22)34-27-16-7-6-15-25(27)26-18-17-20-9-4-5-14-24(20)28(26)34/h1-19,30,33H,(H,31,32)
InChIKeyZJAKZWQAQXOLPP-UHFFFAOYSA-N
XLogP6.49
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-12-[3-[5-(4-phenylphenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]indeno[1,2-a]carbazole
CID 129238358
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
12-phenyl-16-[3-(4-phenyl-1,2,5,6-tetrahydroquinazolin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134604207
12-phenyl-16-[3-[4-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 137246423
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
CID 163543654
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558

Frequently Asked Questions

What is the IUPAC name of 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole?
The IUPAC name of 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole (CID 130181172) is 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole.
What is the SMILES notation for 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole?
The canonical SMILES for 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole is c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccc6ccccc6c54)c3)NN2)cc1.
What is the InChIKey of 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole?
The InChIKey is ZJAKZWQAQXOLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-2-10-21(11-3-1)29-31-30(33-32-29)22-12-8-13-23(19-22)34-27-16-7-6-15-25(27)26-18-17-20-9-4-5-14-24(20)28(26)34/h1-19,30,33H,(H,31,32).
What are the key properties of 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole?
11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole has a molecular weight of 438.53 g/mol, XLogP of 6.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-yl)phenyl]benzo[a]carbazole is sourced from PubChem (CID 130181172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).