3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

C108H90N4O2 — CID 177099341

IUPAC3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)cc(N(c2ccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)cc2Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C108H90N4O2/c1-106(2,3)79-63-85(109(82-59-57-74(58-60-82)73-35-15-10-16-36-73)104-94(75-37-17-11-18-38-75)65-80(107(4,5)6)66-95(104)76-39-19-12-20-40-76)69-86(64-79)112(105-96(77-41-21-13-22-42-77)67-81(108(7,8)9)68-97(105)78-43-23-14-24-44-78)102-62-61-89(113-87-47-33-45-83(70-87)110-98-53-29-25-49-90(98)91-50-26-30-54-99(91)110)72-103(102)114-88-48-34-46-84(71-88)111-100-55-31-27-51-92(100)93-52-28-32-56-101(93)111/h10-72H,1-9H3
InChIKeyINTXMEPBHYQFJA-UHFFFAOYSA-N
MW1475.93 g/mol
LogP30.63
Rot. Bonds17

About 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 177099341) has the molecular formula C108H90N4O2 and a molecular weight of 1475.93 g/mol. Its IUPAC name is 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID177099341
Molecular FormulaC108H90N4O2
Molecular Weight1475.93 g/mol
Exact Mass1474.71
IUPAC Name3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)cc(N(c2ccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)cc2Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C108H90N4O2/c1-106(2,3)79-63-85(109(82-59-57-74(58-60-82)73-35-15-10-16-36-73)104-94(75-37-17-11-18-38-75)65-80(107(4,5)6)66-95(104)76-39-19-12-20-40-76)69-86(64-79)112(105-96(77-41-21-13-22-42-77)67-81(108(7,8)9)68-97(105)78-43-23-14-24-44-78)102-62-61-89(113-87-47-33-45-83(70-87)110-98-53-29-25-49-90(98)91-50-26-30-54-99(91)110)72-103(102)114-88-48-34-46-84(71-88)111-100-55-31-27-51-92(100)93-52-28-32-56-101(93)111/h10-72H,1-9H3
InChIKeyINTXMEPBHYQFJA-UHFFFAOYSA-N
XLogP30.63
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.93
LogP ≤ 530.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N-(2,6-diphenylphenyl)benzene-1,3-diamine
CID 176815115
5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177082488
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414816
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-1-N-(4-tert-butyl-2,6-diphenylphenyl)-1-N-[4-(3,5-diphenylphenyl)phenyl]-3-N-[3-(1,2,3,4,5,7,8-heptadeuterio-6-phenylcarbazol-9-yl)phenyl]benzene-1,3-diamine
CID 177078383
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
N-(3-tert-butylphenyl)-16-carbazol-9-yl-N-(2,5-diphenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033229
N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 176781077
4-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 167038231
N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline
CID 158008301
5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-3-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1-N-(3,5-diphenylphenyl)-1-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 169076673

Frequently Asked Questions

What is the IUPAC name of 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 177099341) is 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is CC(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)cc(N(c2ccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)cc2Oc2cccc(-n3c4ccccc4c4ccccc43)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is INTXMEPBHYQFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H90N4O2/c1-106(2,3)79-63-85(109(82-59-57-74(58-60-82)73-35-15-10-16-36-73)104-94(75-37-17-11-18-38-75)65-80(107(4,5)6)66-95(104)76-39-19-12-20-40-76)69-86(64-79)112(105-96(77-41-21-13-22-42-77)67-81(108(7,8)9)68-97(105)78-43-23-14-24-44-78)102-62-61-89(113-87-47-33-45-83(70-87)110-98-53-29-25-49-90(98)91-50-26-30-54-99(91)110)72-103(102)114-88-48-34-46-84(71-88)111-100-55-31-27-51-92(100)93-52-28-32-56-101(93)111/h10-72H,1-9H3.
What are the key properties of 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 1475.93 g/mol, XLogP of 30.63, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 177099341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).