N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline

C60H45NO — CID 155095551

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc2)cccc1C3(C)C
InChIInChI=1S/C60H45NO/c1-59(2)52-21-10-8-16-47(52)50-36-55-51(37-54(50)59)57-45(18-13-22-53(57)60(55,3)4)40-26-24-38(25-27-40)39-28-32-43(33-29-39)61(42-14-6-5-7-15-42)44-34-30-41(31-35-44)46-19-12-20-49-48-17-9-11-23-56(48)62-58(46)49/h5-37H,1-4H3
InChIKeyIDUDJIOOASBHDC-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline (PubChem CID 155095551) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
PubChem CID155095551
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc2)cccc1C3(C)C
InChIInChI=1S/C60H45NO/c1-59(2)52-21-10-8-16-47(52)50-36-55-51(37-54(50)59)57-45(18-13-22-53(57)60(55,3)4)40-26-24-38(25-27-40)39-28-32-43(33-29-39)61(42-14-6-5-7-15-42)44-34-30-41(31-35-44)46-19-12-20-49-48-17-9-11-23-56(48)62-58(46)49/h5-37H,1-4H3
InChIKeyIDUDJIOOASBHDC-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
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-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
N-(4-dibenzofuran-4-ylphenyl)-15,15,25,25-tetramethyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088984
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline (CID 155095551) is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc2)cccc1C3(C)C.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline?
The InChIKey is IDUDJIOOASBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)52-21-10-8-16-47(52)50-36-55-51(37-54(50)59)57-45(18-13-22-53(57)60(55,3)4)40-26-24-38(25-27-40)39-28-32-43(33-29-39)61(42-14-6-5-7-15-42)44-34-30-41(31-35-44)46-19-12-20-49-48-17-9-11-23-56(48)62-58(46)49/h5-37H,1-4H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline has a molecular weight of 796.03 g/mol, XLogP of 16.67, 6 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)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline is sourced from PubChem (CID 155095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).