9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole

C49H34N4O — CID 154968907

IUPAC9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC(C2N=C(c3ccccc3)NC(n3c4ccccc4c4ccccc43)=N2)Cc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cc3ccccc3c21
InChIInChI=1S/C49H34N4O/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)40-29-35-17-7-8-18-37(35)45-41-30-36(27-28-44(41)54-46(40)45)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-21-11-9-19-38(42)39-20-10-12-22-43(39)53/h1-29,36,48H,30H2,(H,50,51,52)
InChIKeyQFNWLDUUEPUDMF-UHFFFAOYSA-N
MW694.84 g/mol
LogP11.49
Rot. Bonds4

About 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole

9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole (PubChem CID 154968907) has the molecular formula C49H34N4O and a molecular weight of 694.84 g/mol. Its IUPAC name is 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
PubChem CID154968907
Molecular FormulaC49H34N4O
Molecular Weight694.84 g/mol
Exact Mass694.27
IUPAC Name9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC(C2N=C(c3ccccc3)NC(n3c4ccccc4c4ccccc43)=N2)Cc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cc3ccccc3c21
InChIInChI=1S/C49H34N4O/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)40-29-35-17-7-8-18-37(35)45-41-30-36(27-28-44(41)54-46(40)45)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-21-11-9-19-38(42)39-20-10-12-22-43(39)53/h1-29,36,48H,30H2,(H,50,51,52)
InChIKeyQFNWLDUUEPUDMF-UHFFFAOYSA-N
XLogP11.49
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.84
LogP ≤ 511.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961286
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
5-[2-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)quinazolin-4-yl]benzo[b]carbazole
CID 164707669
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
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 161499760
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 145085465
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole
CID 142569011
9-[6-(4,6-diphenylpyrimidin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707544
11-phenyl-5-[2-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167233530
2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 166945382

Frequently Asked Questions

What is the IUPAC name of 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole (CID 154968907) is 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole is C1=CC(C2N=C(c3ccccc3)NC(n3c4ccccc4c4ccccc43)=N2)Cc2c1oc1c(-c3ccc(-c4ccccc4)cc3)cc3ccccc3c21.
What is the InChIKey of 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QFNWLDUUEPUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)40-29-35-17-7-8-18-37(35)45-41-30-36(27-28-44(41)54-46(40)45)48-50-47(34-15-5-2-6-16-34)51-49(52-48)53-42-21-11-9-19-38(42)39-20-10-12-22-43(39)53/h1-29,36,48H,30H2,(H,50,51,52).
What are the key properties of 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole has a molecular weight of 694.84 g/mol, XLogP of 11.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-phenyl-4-[6-(4-phenylphenyl)-10,11-dihydronaphtho[2,1-b][1]benzofuran-10-yl]-1,4-dihydro-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 154968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).