N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine

C46H45N5 — CID 155651880

IUPACN-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1cc(N2C=CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C46H45N5/c1-45(2,3)33-27-34(46(4,5)6)29-39(28-33)49-26-25-48(32-49)36-17-14-18-37(30-36)50(35-15-8-7-9-16-35)38-22-23-41-40-19-10-11-20-42(40)51(43(41)31-38)44-21-12-13-24-47-44/h7-31H,32H2,1-6H3
InChIKeyYUBXFGSNOMFNCA-UHFFFAOYSA-N
MW667.90 g/mol
LogP12.00
Rot. Bonds6

About N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine

N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine (PubChem CID 155651880) has the molecular formula C46H45N5 and a molecular weight of 667.90 g/mol. Its IUPAC name is N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
PubChem CID155651880
Molecular FormulaC46H45N5
Molecular Weight667.90 g/mol
Exact Mass667.37
IUPAC NameN-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1cc(N2C=CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C46H45N5/c1-45(2,3)33-27-34(46(4,5)6)29-39(28-33)49-26-25-48(32-49)36-17-14-18-37(30-36)50(35-15-8-7-9-16-35)38-22-23-41-40-19-10-11-20-42(40)51(43(41)31-38)44-21-12-13-24-47-44/h7-31H,32H2,1-6H3
InChIKeyYUBXFGSNOMFNCA-UHFFFAOYSA-N
XLogP12.00
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.90
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine
CID 169056923
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-N-phenyl-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 161370511
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
2-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenyl]propan-2-yl]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651583
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
CID 153411467

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine?
The IUPAC name of N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine (CID 155651880) is N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine.
What is the SMILES notation for N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine?
The canonical SMILES for N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine is CC(C)(C)c1cc(N2C=CN(c3cccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1.
What is the InChIKey of N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine?
The InChIKey is YUBXFGSNOMFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N5/c1-45(2,3)33-27-34(46(4,5)6)29-39(28-33)49-26-25-48(32-49)36-17-14-18-37(30-36)50(35-15-8-7-9-16-35)38-22-23-41-40-19-10-11-20-42(40)51(43(41)31-38)44-21-12-13-24-47-44/h7-31H,32H2,1-6H3.
What are the key properties of N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine?
N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine has a molecular weight of 667.90 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine is sourced from PubChem (CID 155651880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).