N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

C66H42N2O — CID 89492134

IUPACN-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H42N2O/c1-3-14-43(15-4-1)47-31-38-62-60(41-47)61-42-48(45-26-33-50(34-27-45)67(49-16-5-2-6-17-49)64-24-13-23-58-57-22-11-12-25-65(57)69-66(58)64)32-39-63(61)68(62)51-35-28-44(29-36-51)46-30-37-56-54-20-8-7-18-52(54)53-19-9-10-21-55(53)59(56)40-46/h1-42H
InChIKeyRRUCFMFSONEWRO-UHFFFAOYSA-N
MW879.08 g/mol
LogP18.61
Rot. Bonds7

About N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (PubChem CID 89492134) has the molecular formula C66H42N2O and a molecular weight of 879.08 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
PubChem CID89492134
Molecular FormulaC66H42N2O
Molecular Weight879.08 g/mol
Exact Mass878.33
IUPAC NameN-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H42N2O/c1-3-14-43(15-4-1)47-31-38-62-60(41-47)61-42-48(45-26-33-50(34-27-45)67(49-16-5-2-6-17-49)64-24-13-23-58-57-22-11-12-25-65(57)69-66(58)64)32-39-63(61)68(62)51-35-28-44(29-36-51)46-30-37-56-54-20-8-7-18-52(54)53-19-9-10-21-55(53)59(56)40-46/h1-42H
InChIKeyRRUCFMFSONEWRO-UHFFFAOYSA-N
XLogP18.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 89492312
N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 89491956
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 131997540
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-[4-[24-[4-(N-dibenzofuran-4-ylanilino)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 118651787
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (CID 89492134) is N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)ccc2n3-c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is RRUCFMFSONEWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O/c1-3-14-43(15-4-1)47-31-38-62-60(41-47)61-42-48(45-26-33-50(34-27-45)67(49-16-5-2-6-17-49)64-24-13-23-58-57-22-11-12-25-65(57)69-66(58)64)32-39-63(61)68(62)51-35-28-44(29-36-51)46-30-37-56-54-20-8-7-18-52(54)53-19-9-10-21-55(53)59(56)40-46/h1-42H.
What are the key properties of N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 879.08 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 89492134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).