3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine

C61H49NO — CID 142540819

IUPAC3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine
SMILESCC1(c2ccccc2)C=CC(N(c2ccccc2)c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc3c2C(C)(C)c2cc4c(cc2-3)C(C)(C)c2ccccc2-4)=CC1
InChIInChI=1S/C61H49NO/c1-59(2)52-25-14-12-21-46(52)49-37-54-50(38-53(49)59)51-35-41(39-27-29-40(30-28-39)45-23-16-24-48-47-22-13-15-26-56(47)63-58(45)48)36-55(57(51)60(54,3)4)62(43-19-10-7-11-20-43)44-31-33-61(5,34-32-44)42-17-8-6-9-18-42/h6-33,35-38H,34H2,1-5H3
InChIKeyRKVZGRATLCKOBS-UHFFFAOYSA-N
MW812.07 g/mol
LogP16.47
Rot. Bonds6

About 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine

3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine (PubChem CID 142540819) has the molecular formula C61H49NO and a molecular weight of 812.07 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine
PubChem CID142540819
Molecular FormulaC61H49NO
Molecular Weight812.07 g/mol
Exact Mass811.38
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine
SMILESCC1(c2ccccc2)C=CC(N(c2ccccc2)c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc3c2C(C)(C)c2cc4c(cc2-3)C(C)(C)c2ccccc2-4)=CC1
InChIInChI=1S/C61H49NO/c1-59(2)52-25-14-12-21-46(52)49-37-54-50(38-53(49)59)51-35-41(39-27-29-40(30-28-39)45-23-16-24-48-47-22-13-15-26-56(47)63-58(45)48)36-55(57(51)60(54,3)4)62(43-19-10-7-11-20-43)44-31-33-61(5,34-32-44)42-17-8-6-9-18-42/h6-33,35-38H,34H2,1-5H3
InChIKeyRKVZGRATLCKOBS-UHFFFAOYSA-N
XLogP16.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine with MolForge

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Related Compounds

5-[4-(N-dibenzofuran-4-ylanilino)-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275433
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 144960334
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-(4-dibenzofuran-4-yl-4-methylcyclohexa-1,5-dien-1-yl)-10-phenyl-N-(4-phenylphenyl)-6,6,12,12-tetra(propan-2-yl)indeno[1,2-b]fluoren-2-amine;ethane
CID 142541181
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine (CID 142540819) is 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine is CC1(c2ccccc2)C=CC(N(c2ccccc2)c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc3c2C(C)(C)c2cc4c(cc2-3)C(C)(C)c2ccccc2-4)=CC1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine?
The InChIKey is RKVZGRATLCKOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49NO/c1-59(2)52-25-14-12-21-46(52)49-37-54-50(38-53(49)59)51-35-41(39-27-29-40(30-28-39)45-23-16-24-48-47-22-13-15-26-56(47)63-58(45)48)36-55(57(51)60(54,3)4)62(43-19-10-7-11-20-43)44-31-33-61(5,34-32-44)42-17-8-6-9-18-42/h6-33,35-38H,34H2,1-5H3.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine?
3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine has a molecular weight of 812.07 g/mol, XLogP of 16.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine is sourced from PubChem (CID 142540819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).