9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

C60H46N2 — CID 88986884

IUPAC9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESC/C=C\c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1C
InChIInChI=1S/C60H46N2/c1-3-19-44-30-35-48(40-43(44)2)60-56-39-37-53(61(49-22-11-5-12-23-49)50-24-13-6-14-25-50)41-57(56)59(47-33-31-46(32-34-47)45-20-9-4-10-21-45)55-38-36-54(42-58(55)60)62(51-26-15-7-16-27-51)52-28-17-8-18-29-52/h3-42H,1-2H3/b19-3-
InChIKeyBSZVPBXKRYPGTC-OQOIWIOPSA-N
MW795.04 g/mol
LogP17.28
Rot. Bonds10

About 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 88986884) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID88986884
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESC/C=C\c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1C
InChIInChI=1S/C60H46N2/c1-3-19-44-30-35-48(40-43(44)2)60-56-39-37-53(61(49-22-11-5-12-23-49)50-24-13-6-14-25-50)41-57(56)59(47-33-31-46(32-34-47)45-20-9-4-10-21-45)55-38-36-54(42-58(55)60)62(51-26-15-7-16-27-51)52-28-17-8-18-29-52/h3-42H,1-2H3/b19-3-
InChIKeyBSZVPBXKRYPGTC-OQOIWIOPSA-N
XLogP17.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
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
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
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-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (CID 88986884) is 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is C/C=C\c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1C.
What is the InChIKey of 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is BSZVPBXKRYPGTC-OQOIWIOPSA-N. The full InChI is InChI=1S/C60H46N2/c1-3-19-44-30-35-48(40-43(44)2)60-56-39-37-53(61(49-22-11-5-12-23-49)50-24-13-6-14-25-50)41-57(56)59(47-33-31-46(32-34-47)45-20-9-4-10-21-45)55-38-36-54(42-58(55)60)62(51-26-15-7-16-27-51)52-28-17-8-18-29-52/h3-42H,1-2H3/b19-3-.
What are the key properties of 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 795.04 g/mol, XLogP of 17.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 88986884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).