7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole

C54H38N2O — CID 167200383

IUPAC7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
SMILESC1=CC2c3ccc(-c4ccc5c6c(n(-c7ccccc7-c7ccccc7)c5c4)CCC=C6)cc3N(c3cc(-c4ccccc4)cc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C54H38N2O/c1-3-15-35(16-4-1)39-31-46-45-22-10-14-26-53(45)57-54(46)52(34-39)56-49-25-13-9-21-42(49)44-30-28-38(33-51(44)56)37-27-29-43-41-20-8-12-24-48(41)55(50(43)32-37)47-23-11-7-19-40(47)36-17-5-2-6-18-36/h1-11,13-23,25-34,42,49H,12,24H2
InChIKeyZXLACXXLIFEHTE-UHFFFAOYSA-N
MW730.91 g/mol
LogP14.22
Rot. Bonds5

About 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole

7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole (PubChem CID 167200383) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
PubChem CID167200383
Molecular FormulaC54H38N2O
Molecular Weight730.91 g/mol
Exact Mass730.30
IUPAC Name7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
SMILESC1=CC2c3ccc(-c4ccc5c6c(n(-c7ccccc7-c7ccccc7)c5c4)CCC=C6)cc3N(c3cc(-c4ccccc4)cc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C54H38N2O/c1-3-15-35(16-4-1)39-31-46-45-22-10-14-26-53(45)57-54(46)52(34-39)56-49-25-13-9-21-42(49)44-30-28-38(33-51(44)56)37-27-29-43-41-20-8-12-24-48(41)55(50(43)32-37)47-23-11-7-19-40(47)36-17-5-2-6-18-36/h1-11,13-23,25-34,42,49H,12,24H2
InChIKeyZXLACXXLIFEHTE-UHFFFAOYSA-N
XLogP14.22
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 163423190
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-[4-(10-cyclohexa-1,3-dien-1-yl-4-methyl-9-phenyl-3,4-dihydroanthracen-2-yl)phenyl]-7-dibenzofuran-4-yl-4a,9a-dihydrocarbazole
CID 123729608
N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144554231
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
CID 89129785
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170144355

Frequently Asked Questions

What is the IUPAC name of 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole (CID 167200383) is 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole is C1=CC2c3ccc(-c4ccc5c6c(n(-c7ccccc7-c7ccccc7)c5c4)CCC=C6)cc3N(c3cc(-c4ccccc4)cc4c3oc3ccccc34)C2C=C1.
What is the InChIKey of 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole?
The InChIKey is ZXLACXXLIFEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-3-15-35(16-4-1)39-31-46-45-22-10-14-26-53(45)57-54(46)52(34-39)56-49-25-13-9-21-42(49)44-30-28-38(33-51(44)56)37-27-29-43-41-20-8-12-24-48(41)55(50(43)32-37)47-23-11-7-19-40(47)36-17-5-2-6-18-36/h1-11,13-23,25-34,42,49H,12,24H2.
What are the key properties of 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole?
7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole has a molecular weight of 730.91 g/mol, XLogP of 14.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 167200383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).