3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C54H48N2 — CID 167133373

IUPAC3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cc2Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C54H48N2/c1-53(2,3)43-23-27-51-48(34-43)49-35-44(54(4,5)6)24-28-52(49)56(51)46-30-41(37-17-11-8-12-18-37)29-42(31-46)47-32-39-19-13-14-20-40(39)33-50(47)55-45-25-21-38(22-26-45)36-15-9-7-10-16-36/h7-35,55H,1-6H3
InChIKeyCMYIUOMNWQFULC-UHFFFAOYSA-N
MW724.99 g/mol
LogP15.28
Rot. Bonds6

About 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine

3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 167133373) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID167133373
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC Name3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cc2Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C54H48N2/c1-53(2,3)43-23-27-51-48(34-43)49-35-44(54(4,5)6)24-28-52(49)56(51)46-30-41(37-17-11-8-12-18-37)29-42(31-46)47-32-39-19-13-14-20-40(39)33-50(47)55-45-25-21-38(22-26-45)36-15-9-7-10-16-36/h7-35,55H,1-6H3
InChIKeyCMYIUOMNWQFULC-UHFFFAOYSA-N
XLogP15.28
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 515.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 174017872
CID 174017872
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]-N-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline
CID 146250921
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
3,6-ditert-butyl-9-[4-[4-(2,5-dinaphthalen-1-ylpyrrol-1-yl)phenyl]phenyl]carbazole
CID 58489450

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 167133373) is 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)cc(-c2cc3ccccc3cc2Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is CMYIUOMNWQFULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N2/c1-53(2,3)43-23-27-51-48(34-43)49-35-44(54(4,5)6)24-28-52(49)56(51)46-30-41(37-17-11-8-12-18-37)29-42(31-46)47-32-39-19-13-14-20-40(39)33-50(47)55-45-25-21-38(22-26-45)36-15-9-7-10-16-36/h7-35,55H,1-6H3.
What are the key properties of 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 724.99 g/mol, XLogP of 15.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,6-ditert-butylcarbazol-9-yl)-5-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167133373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).