N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C48H41BN2O2 — CID 142710964

IUPACN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)OC1(C)C
InChIInChI=1S/C48H41BN2O2/c1-47(2)48(3,4)53-49(52-47)38-30-37(36-26-29-44-43-22-14-15-23-45(43)51(46(44)32-36)40-20-12-7-13-21-40)31-42(33-38)50(39-18-10-6-11-19-39)41-27-24-35(25-28-41)34-16-8-5-9-17-34/h5-33H,1-4H3
InChIKeyCLPHIIAAYDJPEI-UHFFFAOYSA-N
MW688.68 g/mol
LogP11.89
Rot. Bonds7

About N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 142710964) has the molecular formula C48H41BN2O2 and a molecular weight of 688.68 g/mol. Its IUPAC name is N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
PubChem CID142710964
Molecular FormulaC48H41BN2O2
Molecular Weight688.68 g/mol
Exact Mass688.33
IUPAC NameN-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILESCC1(C)OB(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)OC1(C)C
InChIInChI=1S/C48H41BN2O2/c1-47(2)48(3,4)53-49(52-47)38-30-37(36-26-29-44-43-22-14-15-23-45(43)51(46(44)32-36)40-20-12-7-13-21-40)31-42(33-38)50(39-18-10-6-11-19-39)41-27-24-35(25-28-41)34-16-8-5-9-17-34/h5-33H,1-4H3
InChIKeyCLPHIIAAYDJPEI-UHFFFAOYSA-N
XLogP11.89
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.68
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-amine
CID 170690267
N,N-diphenyl-3-(9-phenylcarbazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710965
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 129175640
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
CID 144830993
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114
ethane;9-(3-methyl-5-triphenylen-2-ylphenyl)-2-phenylcarbazole;2-phenyl-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-triphenylen-2-ylphenyl]carbazole
CID 157136442
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The IUPAC name of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 142710964) is N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.
What is the SMILES notation for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The canonical SMILES for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CC1(C)OB(c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c2)OC1(C)C.
What is the InChIKey of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
The InChIKey is CLPHIIAAYDJPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41BN2O2/c1-47(2)48(3,4)53-49(52-47)38-30-37(36-26-29-44-43-22-14-15-23-45(43)51(46(44)32-36)40-20-12-7-13-21-40)31-42(33-38)50(39-18-10-6-11-19-39)41-27-24-35(25-28-41)34-16-8-5-9-17-34/h5-33H,1-4H3.
What are the key properties of N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 688.68 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 142710964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).