9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine

C60H52N2 — CID 170691684

IUPAC9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
SMILESC=CC(C)(C)c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(C(C)(C)C=C)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H52N2/c1-7-59(3,4)45-33-29-43(30-34-45)57-53-39-37-52(62(49-25-17-11-18-26-49)50-27-19-12-20-28-50)42-56(53)58(44-31-35-46(36-32-44)60(5,6)8-2)54-40-38-51(41-55(54)57)61(47-21-13-9-14-22-47)48-23-15-10-16-24-48/h7-42H,1-2H2,3-6H3
InChIKeyOGDDXPNJXLWHLS-UHFFFAOYSA-N
MW801.09 g/mol
LogP17.19
Rot. Bonds12

About 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine

9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine (PubChem CID 170691684) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
PubChem CID170691684
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC Name9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
SMILESC=CC(C)(C)c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(C(C)(C)C=C)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H52N2/c1-7-59(3,4)45-33-29-43(30-34-45)57-53-39-37-52(62(49-25-17-11-18-26-49)50-27-19-12-20-28-50)42-56(53)58(44-31-35-46(36-32-44)60(5,6)8-2)54-40-38-51(41-55(54)57)61(47-21-13-9-14-22-47)48-23-15-10-16-24-48/h7-42H,1-2H2,3-6H3
InChIKeyOGDDXPNJXLWHLS-UHFFFAOYSA-N
XLogP17.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
6-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-2-N-(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89152592
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?
The IUPAC name of 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine (CID 170691684) is 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine.
What is the SMILES notation for 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?
The canonical SMILES for 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine is C=CC(C)(C)c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(C(C)(C)C=C)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?
The InChIKey is OGDDXPNJXLWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-7-59(3,4)45-33-29-43(30-34-45)57-53-39-37-52(62(49-25-17-11-18-26-49)50-27-19-12-20-28-50)42-56(53)58(44-31-35-46(36-32-44)60(5,6)8-2)54-40-38-51(41-55(54)57)61(47-21-13-9-14-22-47)48-23-15-10-16-24-48/h7-42H,1-2H2,3-6H3.
What are the key properties of 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?
9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine has a molecular weight of 801.09 g/mol, XLogP of 17.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine is sourced from PubChem (CID 170691684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).