3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole

C60H41NO2 — CID 123166999

IUPAC3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole
SMILESC1=CC2c3cccc(-c4ccc(-c5ccccc5)cc4)c3OC2C(C2C=Cc3[nH]c4ccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)cc4c3C2)=C1
InChIInChI=1S/C60H41NO2/c1-3-11-37(12-4-1)39-23-27-41(28-24-39)45-15-7-19-49-51-21-9-17-47(59(51)62-57(45)49)43-31-33-55-53(35-43)54-36-44(32-34-56(54)61-55)48-18-10-22-52-50-20-8-16-46(58(50)63-60(48)52)42-29-25-40(26-30-42)38-13-5-2-6-14-38/h1-35,44,52,60-61H,36H2
InChIKeyRUTILSMFJJCKHT-UHFFFAOYSA-N
MW807.99 g/mol
LogP15.63
Rot. Bonds6

About 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole

3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole (PubChem CID 123166999) has the molecular formula C60H41NO2 and a molecular weight of 807.99 g/mol. Its IUPAC name is 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole.

Molecular Properties

Compound Name3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole
PubChem CID123166999
Molecular FormulaC60H41NO2
Molecular Weight807.99 g/mol
Exact Mass807.31
IUPAC Name3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole
SMILESC1=CC2c3cccc(-c4ccc(-c5ccccc5)cc4)c3OC2C(C2C=Cc3[nH]c4ccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)cc4c3C2)=C1
InChIInChI=1S/C60H41NO2/c1-3-11-37(12-4-1)39-23-27-41(28-24-39)45-15-7-19-49-51-21-9-17-47(59(51)62-57(45)49)43-31-33-55-53(35-43)54-36-44(32-34-56(54)61-55)48-18-10-22-52-50-20-8-16-46(58(50)63-60(48)52)42-29-25-40(26-30-42)38-13-5-2-6-14-38/h1-35,44,52,60-61H,36H2
InChIKeyRUTILSMFJJCKHT-UHFFFAOYSA-N
XLogP15.63
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.99
LogP ≤ 515.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
CID 88574118
9-[3-[18-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaen-5-yl]phenyl]carbazole
CID 67953594
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
CID 67953566
4-N-(6-phenyl-5a,9a-dihydrodibenzofuran-4-yl)-20-N-(6-phenyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene-4,20-diamine
CID 167270538
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163732814
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
8,16-di(triphenylen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaene
CID 88882610
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole?
The IUPAC name of 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole (CID 123166999) is 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole.
What is the SMILES notation for 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole?
The canonical SMILES for 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole is C1=CC2c3cccc(-c4ccc(-c5ccccc5)cc4)c3OC2C(C2C=Cc3[nH]c4ccc(-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)cc4c3C2)=C1.
What is the InChIKey of 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole?
The InChIKey is RUTILSMFJJCKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO2/c1-3-11-37(12-4-1)39-23-27-41(28-24-39)45-15-7-19-49-51-21-9-17-47(59(51)62-57(45)49)43-31-33-55-53(35-43)54-36-44(32-34-56(54)61-55)48-18-10-22-52-50-20-8-16-46(58(50)63-60(48)52)42-29-25-40(26-30-42)38-13-5-2-6-14-38/h1-35,44,52,60-61H,36H2.
What are the key properties of 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole?
3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole has a molecular weight of 807.99 g/mol, XLogP of 15.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole is sourced from PubChem (CID 123166999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).