9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole

C45H32N4O — CID 146395689

IUPAC9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc4c3OC3C=C(c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)C=CC43)c3ccccc23)CC1
InChIInChI=1S/C45H32N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-36-37-21-12-24-40(42(37)50-41(36)28-33)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-9,11-22,24-28,36,41H,10,23H2
InChIKeyNMZQZRPFPVENJP-UHFFFAOYSA-N
MW644.78 g/mol
LogP10.27
Rot. Bonds5

About 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole

9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole (PubChem CID 146395689) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole
PubChem CID146395689
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC Name9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc4c3OC3C=C(c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)C=CC43)c3ccccc23)CC1
InChIInChI=1S/C45H32N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-36-37-21-12-24-40(42(37)50-41(36)28-33)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-9,11-22,24-28,36,41H,10,23H2
InChIKeyNMZQZRPFPVENJP-UHFFFAOYSA-N
XLogP10.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,9a-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
CID 166668322
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
CID 163672751
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-(2,6-diphenylpyrimidin-4-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,6b,10a-tetrahydro-[1]benzofuro[2,3-a]carbazole
CID 145265264
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole (CID 146395689) is 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3cccc4c3OC3C=C(c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)C=CC43)c3ccccc23)CC1.
What is the InChIKey of 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole?
The InChIKey is NMZQZRPFPVENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-25-26-36-37-21-12-24-40(42(37)50-41(36)28-33)49-38-22-9-7-19-34(38)35-20-8-10-23-39(35)49/h1-9,11-22,24-28,36,41H,10,23H2.
What are the key properties of 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole?
9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole has a molecular weight of 644.78 g/mol, XLogP of 10.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-4-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 146395689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).