9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

C39H24N4 — CID 170108932

IUPAC9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H24N4/c1-2-11-27(12-3-1)37-40-38(42-39(41-37)43-34-16-8-6-14-32(34)33-15-7-9-17-35(33)43)29-22-23-31-28(24-29)21-20-26-19-18-25-10-4-5-13-30(25)36(26)31/h1-24H
InChIKeyICTOUTCMXHBVGA-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.76
Rot. Bonds3

About 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 170108932) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID170108932
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H24N4/c1-2-11-27(12-3-1)37-40-38(42-39(41-37)43-34-16-8-6-14-32(34)33-15-7-9-17-35(33)43)29-22-23-31-28(24-29)21-20-26-19-18-25-10-4-5-13-30(25)36(26)31/h1-24H
InChIKeyICTOUTCMXHBVGA-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 170110356
9-[3-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109000
2-benzo[g]phenanthren-3-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158860815
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974
3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-h]quinoline
CID 174296762
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-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 166916791
11-[2-(4-benzo[c]phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 170109291
2-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167087429
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043

Frequently Asked Questions

What is the IUPAC name of 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 170108932) is 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(ccc5ccc6ccccc6c54)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is ICTOUTCMXHBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-11-27(12-3-1)37-40-38(42-39(41-37)43-34-16-8-6-14-32(34)33-15-7-9-17-35(33)43)29-22-23-31-28(24-29)21-20-26-19-18-25-10-4-5-13-30(25)36(26)31/h1-24H.
What are the key properties of 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 548.65 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 170108932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).