N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

C56H46N2O — CID 170279477

IUPACN-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)cc5)ccc43)ccc21
InChIInChI=1S/C56H46N2O/c1-55(2)33-34-56(3,4)49-36-43(30-31-48(49)55)58-50-18-10-8-15-44(50)47-35-40(25-32-51(47)58)39-23-28-42(29-24-39)57(41-26-21-38(22-27-41)37-13-6-5-7-14-37)52-19-12-17-46-45-16-9-11-20-53(45)59-54(46)52/h5-32,35-36H,33-34H2,1-4H3
InChIKeyXVVCRUFUBQJWQC-UHFFFAOYSA-N
MW763.00 g/mol
LogP15.84
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (PubChem CID 170279477) has the molecular formula C56H46N2O and a molecular weight of 763.00 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
PubChem CID170279477
Molecular FormulaC56H46N2O
Molecular Weight763.00 g/mol
Exact Mass762.36
IUPAC NameN-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)cc5)ccc43)ccc21
InChIInChI=1S/C56H46N2O/c1-55(2)33-34-56(3,4)49-36-43(30-31-48(49)55)58-50-18-10-8-15-44(50)47-35-40(25-32-51(47)58)39-23-28-42(29-24-39)57(41-26-21-38(22-27-41)37-13-6-5-7-14-37)52-19-12-17-46-45-16-9-11-20-53(45)59-54(46)52/h5-32,35-36H,33-34H2,1-4H3
InChIKeyXVVCRUFUBQJWQC-UHFFFAOYSA-N
XLogP15.84
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
CID 170277225
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
CID 170277224
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine
CID 170277583
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (CID 170279477) is N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6ccccc67)cc5)ccc43)ccc21.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is XVVCRUFUBQJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2O/c1-55(2)33-34-56(3,4)49-36-43(30-31-48(49)55)58-50-18-10-8-15-44(50)47-35-40(25-32-51(47)58)39-23-28-42(29-24-39)57(41-26-21-38(22-27-41)37-13-6-5-7-14-37)52-19-12-17-46-45-16-9-11-20-53(45)59-54(46)52/h5-32,35-36H,33-34H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 763.00 g/mol, XLogP of 15.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 170279477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).