9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

C52H36N2O — CID 146336072

IUPAC9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESC=C1C(c2ccccc2)=C2C=CC=CC2NC1c1ccc2c(c1)oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C52H36N2O/c1-33-50(36-18-9-4-10-19-36)42-20-11-12-22-45(42)53-51(33)39-24-27-40-41-21-13-23-48(52(41)55-49(40)32-39)54-46-28-25-37(34-14-5-2-6-15-34)30-43(46)44-31-38(26-29-47(44)54)35-16-7-3-8-17-35/h2-32,45,51,53H,1H2
InChIKeyNCRXERYMYZFCAY-UHFFFAOYSA-N
MW704.87 g/mol
LogP13.17
Rot. Bonds5

About 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (PubChem CID 146336072) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
PubChem CID146336072
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESC=C1C(c2ccccc2)=C2C=CC=CC2NC1c1ccc2c(c1)oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/C52H36N2O/c1-33-50(36-18-9-4-10-19-36)42-20-11-12-22-45(42)53-51(33)39-24-27-40-41-21-13-23-48(52(41)55-49(40)32-39)54-46-28-25-37(34-14-5-2-6-15-34)30-43(46)44-31-38(26-29-47(44)54)35-16-7-3-8-17-35/h2-32,45,51,53H,1H2
InChIKeyNCRXERYMYZFCAY-UHFFFAOYSA-N
XLogP13.17
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 513.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole
CID 146395667
2-phenyl-9-[7-[(6R)-9-phenyl-7,8-didehydro-5,6-dihydro-4aH-benzo[7]annulen-6-yl]dibenzofuran-4-yl]carbazole
CID 146335721
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146335703
3-dibenzofuran-2-yl-9-(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)carbazole
CID 146647920
9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 166860028
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505

Frequently Asked Questions

What is the IUPAC name of 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (CID 146336072) is 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is C=C1C(c2ccccc2)=C2C=CC=CC2NC1c1ccc2c(c1)oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.
What is the InChIKey of 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The InChIKey is NCRXERYMYZFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-33-50(36-18-9-4-10-19-36)42-20-11-12-22-45(42)53-51(33)39-24-27-40-41-21-13-23-48(52(41)55-49(40)32-39)54-46-28-25-37(34-14-5-2-6-15-34)30-43(46)44-31-38(26-29-47(44)54)35-16-7-3-8-17-35/h2-32,45,51,53H,1H2.
What are the key properties of 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole has a molecular weight of 704.87 g/mol, XLogP of 13.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 146336072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).