6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine

C178H135N3 — CID 160617810

IUPAC6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c3c2-c2ccccc2)cc1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)c1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)c1
InChIInChI=1S/C70H57N.C58H41N.C50H37N/c1-68(2,3)47-32-30-45(31-33-47)58-43-59(44-20-10-8-11-21-44)66-56-27-15-14-24-51(56)60-40-48(36-39-57(60)67(66)65(58)46-22-12-9-13-23-46)71(49-34-37-54-52-25-16-18-28-61(52)69(4,5)63(54)41-49)50-35-38-55-53-26-17-19-29-62(53)70(6,7)64(55)42-50;1-38-31-39(2)33-46(32-38)54-37-53(42-17-5-3-6-18-42)57-51-24-14-13-23-50(51)55-36-49(29-30-52(55)58(57)56(54)43-19-7-4-8-20-43)59(47-27-25-40-15-9-11-21-44(40)34-47)48-28-26-41-16-10-12-22-45(41)35-48;1-34-29-35(2)31-38(30-34)46-33-45(36-17-7-3-8-18-36)49-43-26-16-15-25-42(43)47-32-41(27-28-44(47)50(49)48(46)37-19-9-4-10-20-37)51(39-21-11-5-12-22-39)40-23-13-6-14-24-40/h8-43H,1-7H3;3-37H,1-2H3;3-33H,1-2H3
InChIKeyRGHUZGJBCTXRLV-UHFFFAOYSA-N
MW2316.06 g/mol
LogP50.30
Rot. Bonds18

About 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine

6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine (PubChem CID 160617810) has the molecular formula C178H135N3 and a molecular weight of 2316.06 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
PubChem CID160617810
Molecular FormulaC178H135N3
Molecular Weight2316.06 g/mol
Exact Mass2314.07
IUPAC Name6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c3c2-c2ccccc2)cc1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)c1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)c1
InChIInChI=1S/C70H57N.C58H41N.C50H37N/c1-68(2,3)47-32-30-45(31-33-47)58-43-59(44-20-10-8-11-21-44)66-56-27-15-14-24-51(56)60-40-48(36-39-57(60)67(66)65(58)46-22-12-9-13-23-46)71(49-34-37-54-52-25-16-18-28-61(52)69(4,5)63(54)41-49)50-35-38-55-53-26-17-19-29-62(53)70(6,7)64(55)42-50;1-38-31-39(2)33-46(32-38)54-37-53(42-17-5-3-6-18-42)57-51-24-14-13-23-50(51)55-36-49(29-30-52(55)58(57)56(54)43-19-7-4-8-20-43)59(47-27-25-40-15-9-11-21-44(40)34-47)48-28-26-41-16-10-12-22-45(41)35-48;1-34-29-35(2)31-38(30-34)46-33-45(36-17-7-3-8-18-36)49-43-26-16-15-25-42(43)47-32-41(27-28-44(47)50(49)48(46)37-19-9-4-10-20-37)51(39-21-11-5-12-22-39)40-23-13-6-14-24-40/h8-43H,1-7H3;3-37H,1-2H3;3-33H,1-2H3
InChIKeyRGHUZGJBCTXRLV-UHFFFAOYSA-N
XLogP50.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002316.06
LogP ≤ 550.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-[4-[7-(9,9-dimethylfluoren-2-yl)-4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-phenyl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 159322213
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 161446065
7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 59307951
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine (CID 160617810) is 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine is CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4c3c2-c2ccccc2)cc1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)c1.Cc1cc(C)cc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)c1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine?
The InChIKey is RGHUZGJBCTXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57N.C58H41N.C50H37N/c1-68(2,3)47-32-30-45(31-33-47)58-43-59(44-20-10-8-11-21-44)66-56-27-15-14-24-51(56)60-40-48(36-39-57(60)67(66)65(58)46-22-12-9-13-23-46)71(49-34-37-54-52-25-16-18-28-61(52)69(4,5)63(54)41-49)50-35-38-55-53-26-17-19-29-62(53)70(6,7)64(55)42-50;1-38-31-39(2)33-46(32-38)54-37-53(42-17-5-3-6-18-42)57-51-24-14-13-23-50(51)55-36-49(29-30-52(55)58(57)56(54)43-19-7-4-8-20-43)59(47-27-25-40-15-9-11-21-44(40)34-47)48-28-26-41-16-10-12-22-45(41)35-48;1-34-29-35(2)31-38(30-34)46-33-45(36-17-7-3-8-18-36)49-43-26-16-15-25-42(43)47-32-41(27-28-44(47)50(49)48(46)37-19-9-4-10-20-37)51(39-21-11-5-12-22-39)40-23-13-6-14-24-40/h8-43H,1-7H3;3-37H,1-2H3;3-33H,1-2H3.
What are the key properties of 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine?
6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine has a molecular weight of 2316.06 g/mol, XLogP of 50.30, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine is sourced from PubChem (CID 160617810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).