12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole

C63H43NO2 — CID 67953570

IUPAC12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2c(ccc3c4cc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)ccc4n(-c4ccccc4)c23)C2C=CC(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)=CC21
InChIInChI=1S/C63H43NO2/c1-63(2)55-37-45(44-23-31-60-54(36-44)52-34-41(21-29-58(52)66-60)39-14-8-4-9-15-39)18-24-47(55)48-25-26-49-50-32-42(19-27-56(50)64(62(49)61(48)63)46-16-10-5-11-17-46)43-22-30-59-53(35-43)51-33-40(20-28-57(51)65-59)38-12-6-3-7-13-38/h3-37,47,55H,1-2H3
InChIKeyBWOFWYRCHRPHBH-UHFFFAOYSA-N
MW846.04 g/mol
LogP17.23
Rot. Bonds5

About 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole

12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole (PubChem CID 67953570) has the molecular formula C63H43NO2 and a molecular weight of 846.04 g/mol. Its IUPAC name is 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole
PubChem CID67953570
Molecular FormulaC63H43NO2
Molecular Weight846.04 g/mol
Exact Mass845.33
IUPAC Name12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2c(ccc3c4cc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)ccc4n(-c4ccccc4)c23)C2C=CC(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)=CC21
InChIInChI=1S/C63H43NO2/c1-63(2)55-37-45(44-23-31-60-54(36-44)52-34-41(21-29-58(52)66-60)39-14-8-4-9-15-39)18-24-47(55)48-25-26-49-50-32-42(19-27-56(50)64(62(49)61(48)63)46-16-10-5-11-17-46)43-22-30-59-53(35-43)51-33-40(20-28-57(51)65-59)38-12-6-3-7-13-38/h3-37,47,55H,1-2H3
InChIKeyBWOFWYRCHRPHBH-UHFFFAOYSA-N
XLogP17.23
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.04
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-dimethyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydrofluoreno[1,2-b][1]benzofuran
CID 67953569
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 155201179
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
CID 163667096
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole (CID 67953570) is 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole is CC1(C)c2c(ccc3c4cc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)ccc4n(-c4ccccc4)c23)C2C=CC(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)=CC21.
What is the InChIKey of 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole?
The InChIKey is BWOFWYRCHRPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO2/c1-63(2)55-37-45(44-23-31-60-54(36-44)52-34-41(21-29-58(52)66-60)39-14-8-4-9-15-39)18-24-47(55)48-25-26-49-50-32-42(19-27-56(50)64(62(49)61(48)63)46-16-10-5-11-17-46)43-22-30-59-53(35-43)51-33-40(20-28-57(51)65-59)38-12-6-3-7-13-38/h3-37,47,55H,1-2H3.
What are the key properties of 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole?
12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole has a molecular weight of 846.04 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole is sourced from PubChem (CID 67953570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).