4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole

C38H26N4O — CID 166864733

IUPAC4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
SMILESC1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)CC=C5)cc3)n2)=C1
InChIInChI=1S/C38H26N4O/c1-2-10-24(11-3-1)36-39-37(41-38(40-36)30-15-9-19-34-35(30)29-13-5-7-18-33(29)43-34)25-20-22-26(23-21-25)42-31-16-6-4-12-27(31)28-14-8-17-32(28)42/h1-13,15-23,34-35H,14H2
InChIKeyZGSAFYCRGYSASH-UHFFFAOYSA-N
MW554.65 g/mol
LogP8.22
Rot. Bonds4

About 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole

4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole (PubChem CID 166864733) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
PubChem CID166864733
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
SMILESC1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)CC=C5)cc3)n2)=C1
InChIInChI=1S/C38H26N4O/c1-2-10-24(11-3-1)36-39-37(41-38(40-36)30-15-9-19-34-35(30)29-13-5-7-18-33(29)43-34)25-20-22-26(23-21-25)42-31-16-6-4-12-27(31)28-14-8-17-32(28)42/h1-13,15-23,34-35H,14H2
InChIKeyZGSAFYCRGYSASH-UHFFFAOYSA-N
XLogP8.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]carbazole
CID 166988314
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
CID 170282776
4-phenyl-2-[8-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 160871138
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163922728

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole?
The IUPAC name of 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole (CID 166864733) is 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole.
What is the SMILES notation for 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole?
The canonical SMILES for 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole is C1=CC2Oc3ccccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5c(c6ccccc64)CC=C5)cc3)n2)=C1.
What is the InChIKey of 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole?
The InChIKey is ZGSAFYCRGYSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-2-10-24(11-3-1)36-39-37(41-38(40-36)30-15-9-19-34-35(30)29-13-5-7-18-33(29)43-34)25-20-22-26(23-21-25)42-31-16-6-4-12-27(31)28-14-8-17-32(28)42/h1-13,15-23,34-35H,14H2.
What are the key properties of 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole?
4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole has a molecular weight of 554.65 g/mol, XLogP of 8.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole is sourced from PubChem (CID 166864733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).