4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

C50H37N3 — CID 129099120

IUPAC4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)N2)cc1
InChIInChI=1S/C50H37N3/c1-4-17-36(18-5-1)47-51-48(37-19-6-2-7-20-37)53-49(52-47)42-25-13-12-23-40(42)35-28-31-39(32-29-35)50(38-21-8-3-9-22-38)44-27-15-14-26-43(44)46-41-24-11-10-16-34(41)30-33-45(46)50/h1-33,47,49,52H,(H,51,53)
InChIKeyAUBXRBXIOQPUTD-UHFFFAOYSA-N
MW679.87 g/mol
LogP11.21
Rot. Bonds6

About 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129099120) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129099120
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)N2)cc1
InChIInChI=1S/C50H37N3/c1-4-17-36(18-5-1)47-51-48(37-19-6-2-7-20-37)53-49(52-47)42-25-13-12-23-40(42)35-28-31-39(32-29-35)50(38-21-8-3-9-22-38)44-27-15-14-26-43(44)46-41-24-11-10-16-34(41)30-33-45(46)50/h1-33,47,49,52H,(H,51,53)
InChIKeyAUBXRBXIOQPUTD-UHFFFAOYSA-N
XLogP11.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 511.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
2,6-diphenyl-4-[3-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]naphthalen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 129099680
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-(2-benzo[a]anthracen-7-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167252922
2-(2,4-dinaphthalen-1-ylphenyl)-6-phenyl-4-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145377633
6-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 118952140
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170277804
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 129099120) is 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)N2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is AUBXRBXIOQPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-4-17-36(18-5-1)47-51-48(37-19-6-2-7-20-37)53-49(52-47)42-25-13-12-23-40(42)35-28-31-39(32-29-35)50(38-21-8-3-9-22-38)44-27-15-14-26-43(44)46-41-24-11-10-16-34(41)30-33-45(46)50/h1-33,47,49,52H,(H,51,53).
What are the key properties of 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 679.87 g/mol, XLogP of 11.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129099120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).