N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline

C63H52INO — CID 142540979

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline
SMILESCI(C)Cc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3
InChIInChI=1S/C63H52INO/c1-62(2)55-21-12-10-17-49(55)53-37-57-54(38-56(53)62)60-52(35-40(39-64(5)6)36-58(60)63(57,3)4)44-25-23-41(24-26-44)42-27-31-46(32-28-42)65(45-15-8-7-9-16-45)47-33-29-43(30-34-47)48-19-14-20-51-50-18-11-13-22-59(50)66-61(48)51/h7-38H,39H2,1-6H3
InChIKeyPPUJQHBXTVLYDM-UHFFFAOYSA-N
MW966.02 g/mol
LogP17.94
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline (PubChem CID 142540979) has the molecular formula C63H52INO and a molecular weight of 966.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline
PubChem CID142540979
Molecular FormulaC63H52INO
Molecular Weight966.02 g/mol
Exact Mass965.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline
SMILESCI(C)Cc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3
InChIInChI=1S/C63H52INO/c1-62(2)55-21-12-10-17-49(55)53-37-57-54(38-56(53)62)60-52(35-40(39-64(5)6)36-58(60)63(57,3)4)44-25-23-41(24-26-44)42-27-31-46(32-28-42)65(45-15-8-7-9-16-45)47-33-29-43(30-34-47)48-19-14-20-51-50-18-11-13-22-59(50)66-61(48)51/h7-38H,39H2,1-6H3
InChIKeyPPUJQHBXTVLYDM-UHFFFAOYSA-N
XLogP17.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.02
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284394
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
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)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
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)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839577
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline (CID 142540979) is N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline is CI(C)Cc1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)c2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline?
The InChIKey is PPUJQHBXTVLYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52INO/c1-62(2)55-21-12-10-17-49(55)53-37-57-54(38-56(53)62)60-52(35-40(39-64(5)6)36-58(60)63(57,3)4)44-25-23-41(24-26-44)42-27-31-46(32-28-42)65(45-15-8-7-9-16-45)47-33-29-43(30-34-47)48-19-14-20-51-50-18-11-13-22-59(50)66-61(48)51/h7-38H,39H2,1-6H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline has a molecular weight of 966.02 g/mol, XLogP of 17.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 142540979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).