2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

C48H32N2O2 — CID 145140879

IUPAC2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESC1=CCC(n2c3ccc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c5c(oc4cc32)C=CCC5)C=C1
InChIInChI=1S/C48H32N2O2/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-40-38-24-30(20-22-46(38)52-48(40)27-43(36)49)29-19-21-42-35(23-29)37-26-39-34-16-8-10-18-45(34)51-47(39)28-44(37)50(42)32-13-5-2-6-14-32/h1-7,9-13,15,17-28,32H,8,14,16H2
InChIKeyRHFFELXZXWJBGT-UHFFFAOYSA-N
MW668.80 g/mol
LogP13.22
Rot. Bonds3

About 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140879) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID145140879
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESC1=CCC(n2c3ccc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c5c(oc4cc32)C=CCC5)C=C1
InChIInChI=1S/C48H32N2O2/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-40-38-24-30(20-22-46(38)52-48(40)27-43(36)49)29-19-21-42-35(23-29)37-26-39-34-16-8-10-18-45(34)51-47(39)28-44(37)50(42)32-13-5-2-6-14-32/h1-7,9-13,15,17-28,32H,8,14,16H2
InChIKeyRHFFELXZXWJBGT-UHFFFAOYSA-N
XLogP13.22
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-cyclohexa-2,4-dien-1-yl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 145141021
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
7-cyclohexa-2,4-dien-1-yl-9-[7,7-dimethyl-5-(3-methylphenyl)indeno[2,1-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole
CID 145140935
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 145140879) is 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is C1=CCC(n2c3ccc(-c4ccc5oc6cc7c(cc6c5c4)c4ccccc4n7-c4ccccc4)cc3c3cc4c5c(oc4cc32)C=CCC5)C=C1.
What is the InChIKey of 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RHFFELXZXWJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-3-11-31(12-4-1)49-41-17-9-7-15-33(41)36-25-40-38-24-30(20-22-46(38)52-48(40)27-43(36)49)29-19-21-42-35(23-29)37-26-39-34-16-8-10-18-45(34)51-47(39)28-44(37)50(42)32-13-5-2-6-14-32/h1-7,9-13,15,17-28,32H,8,14,16H2.
What are the key properties of 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 668.80 g/mol, XLogP of 13.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).