9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole

C55H36N4O2 — CID 139342499

IUPAC9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4ccc5oc6c(-c7nc(-c8ccc9ccccc9c8)nc(-c8cccc9c8oc8ccccc89)n7)cccc6c5c4)c3N(C3=CCCC=C3)C2C=C1
InChIInChI=1S/C55H36N4O2/c1-2-15-37(16-3-1)59-47-25-8-6-17-39(47)41-20-10-19-38(50(41)59)35-29-30-49-46(32-35)43-22-12-24-45(52(43)61-49)55-57-53(36-28-27-33-13-4-5-14-34(33)31-36)56-54(58-55)44-23-11-21-42-40-18-7-9-26-48(40)60-51(42)44/h2,4-32,39,47H,1,3H2
InChIKeyWEOZMARIANSGDG-UHFFFAOYSA-N
MW784.92 g/mol
LogP14.12
Rot. Bonds5

About 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole

9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole (PubChem CID 139342499) has the molecular formula C55H36N4O2 and a molecular weight of 784.92 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole
PubChem CID139342499
Molecular FormulaC55H36N4O2
Molecular Weight784.92 g/mol
Exact Mass784.28
IUPAC Name9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4ccc5oc6c(-c7nc(-c8ccc9ccccc9c8)nc(-c8cccc9c8oc8ccccc89)n7)cccc6c5c4)c3N(C3=CCCC=C3)C2C=C1
InChIInChI=1S/C55H36N4O2/c1-2-15-37(16-3-1)59-47-25-8-6-17-39(47)41-20-10-19-38(50(41)59)35-29-30-49-46(32-35)43-22-12-24-45(52(43)61-49)55-57-53(36-28-27-33-13-4-5-14-34(33)31-36)56-54(58-55)44-23-11-21-42-40-18-7-9-26-48(40)60-51(42)44/h2,4-32,39,47H,1,3H2
InChIKeyWEOZMARIANSGDG-UHFFFAOYSA-N
XLogP14.12
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 70956943
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170132539
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
1-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazole
CID 170534647
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole (CID 139342499) is 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole is C1=CC2c3cccc(-c4ccc5oc6c(-c7nc(-c8ccc9ccccc9c8)nc(-c8cccc9c8oc8ccccc89)n7)cccc6c5c4)c3N(C3=CCCC=C3)C2C=C1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole?
The InChIKey is WEOZMARIANSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O2/c1-2-15-37(16-3-1)59-47-25-8-6-17-39(47)41-20-10-19-38(50(41)59)35-29-30-49-46(32-35)43-22-12-24-45(52(43)61-49)55-57-53(36-28-27-33-13-4-5-14-34(33)31-36)56-54(58-55)44-23-11-21-42-40-18-7-9-26-48(40)60-51(42)44/h2,4-32,39,47H,1,3H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole?
9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole has a molecular weight of 784.92 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 139342499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).